4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide

C22H19ClN2O2 — CID 7312019

IUPAC4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-7-5-6-10-19(15)25-22(27)17-11-12-18(23)20(14-17)24-21(26)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyBIQFFSNUBXJWMT-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.08
Rot. Bonds5

About 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide

4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide (PubChem CID 7312019) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
PubChem CID7312019
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-7-5-6-10-19(15)25-22(27)17-11-12-18(23)20(14-17)24-21(26)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyBIQFFSNUBXJWMT-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903
4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 7312069
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 1179092
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide (CID 7312019) is 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide is Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide?
The InChIKey is BIQFFSNUBXJWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-15-7-5-6-10-19(15)25-22(27)17-11-12-18(23)20(14-17)24-21(26)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide?
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide has a molecular weight of 378.86 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 7312019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).