4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide

C22H18ClFN2O2 — CID 1228449

IUPAC4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H18ClFN2O2/c23-18-11-10-16(21(27)25-13-12-15-6-2-1-3-7-15)14-20(18)26-22(28)17-8-4-5-9-19(17)24/h1-11,14H,12-13H2,(H,25,27)(H,26,28)
InChIKeyALCARIRPELKEHB-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.70
Rot. Bonds6

About 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide

4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide (PubChem CID 1228449) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
PubChem CID1228449
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H18ClFN2O2/c23-18-11-10-16(21(27)25-13-12-15-6-2-1-3-7-15)14-20(18)26-22(28)17-8-4-5-9-19(17)24/h1-11,14H,12-13H2,(H,25,27)(H,26,28)
InChIKeyALCARIRPELKEHB-UHFFFAOYSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide 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

4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 11839733
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 11839643
N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 29441571
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047887
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide (CID 1228449) is 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide?
The InChIKey is ALCARIRPELKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c23-18-11-10-16(21(27)25-13-12-15-6-2-1-3-7-15)14-20(18)26-22(28)17-8-4-5-9-19(17)24/h1-11,14H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide?
4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide has a molecular weight of 396.85 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1228449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).