4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide

C21H16ClFN2O2 — CID 8714104

IUPAC4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H16ClFN2O2/c1-13-4-2-3-5-18(13)24-21(27)17-11-8-15(22)12-19(17)25-20(26)14-6-9-16(23)10-7-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyCPGJHLXPKMSBEJ-UHFFFAOYSA-N
MW382.82 g/mol
LogP5.29
Rot. Bonds4

About 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide

4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide (PubChem CID 8714104) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
PubChem CID8714104
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC Name4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H16ClFN2O2/c1-13-4-2-3-5-18(13)24-21(27)17-11-8-15(22)12-19(17)25-20(26)14-6-9-16(23)10-7-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyCPGJHLXPKMSBEJ-UHFFFAOYSA-N
XLogP5.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.82
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
CID 66575367
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide (CID 8714104) is 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide?
The InChIKey is CPGJHLXPKMSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c1-13-4-2-3-5-18(13)24-21(27)17-11-8-15(22)12-19(17)25-20(26)14-6-9-16(23)10-7-14/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide?
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide has a molecular weight of 382.82 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 8714104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).