N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide

C21H16Cl2N2O2 — CID 1237676

IUPACN-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-16-8-11-18(19(23)12-16)21(27)25-17-9-6-15(7-10-17)20(26)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyYJFNTTORWGUCFO-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.18
Rot. Bonds5

About N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide

N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide (PubChem CID 1237676) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
PubChem CID1237676
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC NameN-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-16-8-11-18(19(23)12-16)21(27)25-17-9-6-15(7-10-17)20(26)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyYJFNTTORWGUCFO-UHFFFAOYSA-N
XLogP5.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide 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-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 171355386
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42660137
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide (CID 1237676) is N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide is O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The InChIKey is YJFNTTORWGUCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-16-8-11-18(19(23)12-16)21(27)25-17-9-6-15(7-10-17)20(26)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide has a molecular weight of 399.28 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 1237676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).