4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide

C17H16ClFN2O2 — CID 24662064

IUPAC4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-10(2)20-17(23)14-8-5-12(18)9-15(14)21-16(22)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyKKJBBYDGODURIT-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.87
Rot. Bonds4

About 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide

4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 24662064) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID24662064
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-10(2)20-17(23)14-8-5-12(18)9-15(14)21-16(22)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyKKJBBYDGODURIT-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55807504
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-4-methylsulfanyl-3-nitrobenzamide
CID 112837543
4-chloro-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-propan-2-ylbenzamide
CID 55807376
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55807567
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
4-chloro-N-propan-2-ylbenzamide
CID 24045
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
4-chloro-N-propan-2-yl-2-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide
CID 56583064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide (CID 24662064) is 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is KKJBBYDGODURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-10(2)20-17(23)14-8-5-12(18)9-15(14)21-16(22)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.87, 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-propan-2-ylbenzamide is sourced from PubChem (CID 24662064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).