N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide

C21H18BrN3O2 — CID 70124563

IUPACN-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1Br
InChIInChI=1S/C21H18BrN3O2/c22-18-8-4-5-9-19(18)25-21(27)24-17-12-10-16(11-13-17)20(26)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H2,24,25,27)
InChIKeyBBDDQPCQUSHKJZ-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.02
Rot. Bonds5

About N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide

N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide (PubChem CID 70124563) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide
PubChem CID70124563
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC NameN-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1Br
InChIInChI=1S/C21H18BrN3O2/c22-18-8-4-5-9-19(18)25-21(27)24-17-12-10-16(11-13-17)20(26)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H2,24,25,27)
InChIKeyBBDDQPCQUSHKJZ-UHFFFAOYSA-N
XLogP5.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-[(2-bromophenyl)carbamoylamino]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-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
3-(benzylcarbamoylamino)-4-bromobenzoic acid
CID 107812654
2-[4-(benzylcarbamoyl)anilino]benzoic acid
CID 51066167
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide?
The IUPAC name of N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide (CID 70124563) is N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide is O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1Br.
What is the InChIKey of N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide?
The InChIKey is BBDDQPCQUSHKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c22-18-8-4-5-9-19(18)25-21(27)24-17-12-10-16(11-13-17)20(26)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H2,24,25,27).
What are the key properties of N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide?
N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide has a molecular weight of 424.30 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 70124563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).