N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide

C23H22N2O2 — CID 112988131

IUPACN-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-15-7-8-19(13-16(15)2)23(27)25-21-11-9-20(10-12-21)24-22-6-4-5-18(14-22)17(3)26/h4-14,24H,1-3H3,(H,25,27)
InChIKeyKNGNTUVNKSAVNG-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.50
Rot. Bonds5

About N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide

N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide (PubChem CID 112988131) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
PubChem CID112988131
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-15-7-8-19(13-16(15)2)23(27)25-21-11-9-20(10-12-21)24-22-6-4-5-18(14-22)17(3)26/h4-14,24H,1-3H3,(H,25,27)
InChIKeyKNGNTUVNKSAVNG-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

Analyze N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide 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-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117
5-(3-acetylanilino)-2-methylbenzoic acid
CID 155290240
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide (CID 112988131) is N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)c1.
What is the InChIKey of N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide?
The InChIKey is KNGNTUVNKSAVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-7-8-19(13-16(15)2)23(27)25-21-11-9-20(10-12-21)24-22-6-4-5-18(14-22)17(3)26/h4-14,24H,1-3H3,(H,25,27).
What are the key properties of N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide?
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide 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-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 112988131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).