2-[(3-carbamoylphenyl)carbamoyl]benzoate

C15H11N2O4- — CID 3545155

IUPAC2-[(3-carbamoylphenyl)carbamoyl]benzoate
SMILESNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1
InChIInChI=1S/C15H12N2O4/c16-13(18)9-4-3-5-10(8-9)17-14(19)11-6-1-2-7-12(11)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)/p-1
InChIKeyGJGNUGTYQMWDKJ-UHFFFAOYSA-M
MW283.26 g/mol
LogP0.40
Rot. Bonds4

About 2-[(3-carbamoylphenyl)carbamoyl]benzoate

2-[(3-carbamoylphenyl)carbamoyl]benzoate (PubChem CID 3545155) has the molecular formula C15H11N2O4- and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[(3-carbamoylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(3-carbamoylphenyl)carbamoyl]benzoate
PubChem CID3545155
Molecular FormulaC15H11N2O4-
Molecular Weight283.26 g/mol
Exact Mass283.07
IUPAC Name2-[(3-carbamoylphenyl)carbamoyl]benzoate
SMILESNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1
InChIInChI=1S/C15H12N2O4/c16-13(18)9-4-3-5-10(8-9)17-14(19)11-6-1-2-7-12(11)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)/p-1
InChIKeyGJGNUGTYQMWDKJ-UHFFFAOYSA-M
XLogP0.40
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-carbamoylphenyl)carbamoyl]benzoate 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-(3-carbamoylphenyl)benzamide
CID 43402945
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
N-[4-[(3-carbamoylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955740
2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylphenyl)carbamoyl]benzoate?
The IUPAC name of 2-[(3-carbamoylphenyl)carbamoyl]benzoate (CID 3545155) is 2-[(3-carbamoylphenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(3-carbamoylphenyl)carbamoyl]benzoate?
The canonical SMILES for 2-[(3-carbamoylphenyl)carbamoyl]benzoate is NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-[(3-carbamoylphenyl)carbamoyl]benzoate?
The InChIKey is GJGNUGTYQMWDKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O4/c16-13(18)9-4-3-5-10(8-9)17-14(19)11-6-1-2-7-12(11)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)/p-1.
What are the key properties of 2-[(3-carbamoylphenyl)carbamoyl]benzoate?
2-[(3-carbamoylphenyl)carbamoyl]benzoate has a molecular weight of 283.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 3545155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).