![CAS 1186372-20-2 2-Chloro-N-[(9H-fluoren-9-ylamino)carbonyl]-6-fluorobenzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1186372-20-2.gif)
CAS RN: 1186372-20-2
2-Chloro-N-[(9H-fluoren-9-ylamino)carbonyl]-6-fluorobenzamide
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS1186372-20-2
- Purity/Analytical Methods: >99.0%
1186372-20-2 / 2-chloro-N-(9H-fluoren-9-ylcarbamoyl)-6-fluorobenzamide
TMN 355 | 2-Chloro-N-[(9H-fluoren-9-ylamino)carbonyl]-6-fluorobenzamide | TMN355
Basic Information
CAS
1186372-20-2
Multi CAS
Yes
Molecular Formula
C21H14ClFN2O2
Molecular Weight
380.800000
Exact Mass
380.072784
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)NC(=O)NC(=O)C4=C(C=CC=C4Cl)F
InChI
InChI=1S/C21H14ClFN2O2/c22-16-10-5-11-17(23)18(16)20(26)25-21(27)24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)19/h1-11,19H,(H2,24,25,26,27)
InChIKey
SFNLLCUAISZNRV-UHFFFAOYSA-N
Synonyms
TMN 355
2-Chloro-N-[(9H-fluoren-9-ylamino)carbonyl]-6-fluorobenzamide
TMN355
1-(2-Chloro-6-fluorobenzoyl)-3-(9H-fluoren-9-yl)urea
CHEMBL559525
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
101.13
TPSA
58.2
LogP / Solubility
WLOGP
4.69
MLOGP
4.15
XLogP3
5
Consensus LogP
4.61
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
DIMETHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)TEREPHTHALATE
- CAS RN: 1186377-08-1
- Product Code: SSC-018502
-
(2R)-1-(11bS)-(Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)-2-Methyl-1,2,3,4-tetrahydroquinoline
- CAS RN: 1186392-32-4
- Product Code: SSC-018504
-
(2R)-1-(11bR)-(Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)-2-Methyl-1,2,3,4-tetrahydroquinoline
- CAS RN: 1186392-43-7
- Product Code: SSC-018506
-
-
B-(5-Chloro[1,1′-biphenyl]-3-yl)boronic acid
- CAS RN: 1186403-21-3
- Product Code: SSC-018520
-
3-Bromo-5-chloro-6-(trifluoromethyl)-1H-indole
- CAS RN: 1186404-58-9
- Product Code: SSC-018521
![CAS 1186392-32-4 (2R)-1-(11bS)-(Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)-2-Methyl-1,2,3,4-tetrahydroquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1186392-32-4.gif)
![CAS 1186392-43-7 (2R)-1-(11bR)-(Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)-2-Methyl-1,2,3,4-tetrahydroquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1186392-43-7.gif)
![CAS 1186403-21-3 B-(5-Chloro[1,1′-biphenyl]-3-yl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1186403-21-3.gif)
