N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide

C21H17ClN2O2 — CID 112988228

IUPACN-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C21H17ClN2O2/c1-14(25)15-5-7-18(8-6-15)23-19-9-11-20(12-10-19)24-21(26)16-3-2-4-17(22)13-16/h2-13,23H,1H3,(H,24,26)
InChIKeyHUXZBRMSCPBYGY-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.54
Rot. Bonds5

About N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide

N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide (PubChem CID 112988228) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
PubChem CID112988228
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C21H17ClN2O2/c1-14(25)15-5-7-18(8-6-15)23-19-9-11-20(12-10-19)24-21(26)16-3-2-4-17(22)13-16/h2-13,23H,1H3,(H,24,26)
InChIKeyHUXZBRMSCPBYGY-UHFFFAOYSA-N
XLogP5.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide 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

3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
CID 19169303

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide (CID 112988228) is N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide is CC(=O)c1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide?
The InChIKey is HUXZBRMSCPBYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-14(25)15-5-7-18(8-6-15)23-19-9-11-20(12-10-19)24-21(26)16-3-2-4-17(22)13-16/h2-13,23H,1H3,(H,24,26).
What are the key properties of N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide?
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide has a molecular weight of 364.83 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide is sourced from PubChem (CID 112988228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).