N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide

C21H16ClN3O3 — CID 1100705

IUPACN-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESO=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O3/c22-17-10-6-15(7-11-17)20(27)24-25-21(28)16-8-12-18(13-9-16)23-19(26)14-4-2-1-3-5-14/h1-13H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyZNJWSSLCQQBWNT-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.67
Rot. Bonds4

About N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide

N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 1100705) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID1100705
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC NameN-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESO=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O3/c22-17-10-6-15(7-11-17)20(27)24-25-21(28)16-8-12-18(13-9-16)23-19(26)14-4-2-1-3-5-14/h1-13H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyZNJWSSLCQQBWNT-UHFFFAOYSA-N
XLogP3.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide 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-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide (CID 1100705) is N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide is O=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is ZNJWSSLCQQBWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c22-17-10-6-15(7-11-17)20(27)24-25-21(28)16-8-12-18(13-9-16)23-19(26)14-4-2-1-3-5-14/h1-13H,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide?
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 393.83 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 1100705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).