N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide

C23H22N2O2 — CID 18207871

IUPACN-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1
InChIInChI=1S/C23H22N2O2/c1-15-7-6-10-21(16(15)2)25-22-9-5-4-8-20(22)23(27)24-19-13-11-18(12-14-19)17(3)26/h4-14,25H,1-3H3,(H,24,27)
InChIKeyXXBNVCTWLTZQAD-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.50
Rot. Bonds5

About N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide

N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide (PubChem CID 18207871) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
PubChem CID18207871
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1
InChIInChI=1S/C23H22N2O2/c1-15-7-6-10-21(16(15)2)25-22-9-5-4-8-20(22)23(27)24-19-13-11-18(12-14-19)17(3)26/h4-14,25H,1-3H3,(H,24,27)
InChIKeyXXBNVCTWLTZQAD-UHFFFAOYSA-N
XLogP5.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849254
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
2-N-(4-acetylphenyl)-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100082
2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
CID 60517557
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
4-(2,3-dimethylanilino)benzoyl chloride
CID 71393538
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
deuterio 2-(2,3-dimethylanilino)benzoate
CID 175757896

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide (CID 18207871) is N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide is CC(=O)c1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide?
The InChIKey is XXBNVCTWLTZQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-7-6-10-21(16(15)2)25-22-9-5-4-8-20(22)23(27)24-19-13-11-18(12-14-19)17(3)26/h4-14,25H,1-3H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide?
N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide has a molecular weight of 358.44 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide is sourced from PubChem (CID 18207871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).