[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid

C14H13N3O3 — CID 69256283

IUPAC[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
SMILESNc1ccccc1C(=O)Nc1ccccc1NC(=O)O
InChIInChI=1S/C14H13N3O3/c15-10-6-2-1-5-9(10)13(18)16-11-7-3-4-8-12(11)17-14(19)20/h1-8,17H,15H2,(H,16,18)(H,19,20)
InChIKeyVFQWXQASDPHMSA-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.61
Rot. Bonds3

About [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid

[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid (PubChem CID 69256283) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
PubChem CID69256283
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
SMILESNc1ccccc1C(=O)Nc1ccccc1NC(=O)O
InChIInChI=1S/C14H13N3O3/c15-10-6-2-1-5-9(10)13(18)16-11-7-3-4-8-12(11)17-14(19)20/h1-8,17H,15H2,(H,16,18)(H,19,20)
InChIKeyVFQWXQASDPHMSA-UHFFFAOYSA-N
XLogP2.61
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid 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

2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
CID 5247000
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
CID 6395404
CID 6395404
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
2-amino-N-anthracen-1-ylbenzamide
CID 175805968
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902

Frequently Asked Questions

What is the IUPAC name of [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid?
The IUPAC name of [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid (CID 69256283) is [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid?
The canonical SMILES for [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid is Nc1ccccc1C(=O)Nc1ccccc1NC(=O)O.
What is the InChIKey of [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid?
The InChIKey is VFQWXQASDPHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-10-6-2-1-5-9(10)13(18)16-11-7-3-4-8-12(11)17-14(19)20/h1-8,17H,15H2,(H,16,18)(H,19,20).
What are the key properties of [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid?
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid has a molecular weight of 271.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-aminobenzoyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 69256283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).