2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid

C16H14N2O4 — CID 949048

IUPAC2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14N2O4/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h1-9H,10H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyYCCSXAOJIKLQSW-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.39
Rot. Bonds4

About 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid

2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid (PubChem CID 949048) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid
PubChem CID949048
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14N2O4/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h1-9H,10H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyYCCSXAOJIKLQSW-UHFFFAOYSA-N
XLogP1.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid (CID 949048) is 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid is O=C(Cc1ccccc1)NNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid?
The InChIKey is YCCSXAOJIKLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h1-9H,10H2,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid?
2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-phenylacetyl)amino]carbamoyl]benzoic acid is sourced from PubChem (CID 949048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).