2-[(3-nitrophenyl)carbamoyl]benzoate

C14H9N2O5- — CID 6935895

IUPAC2-[(3-nitrophenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N2O5/c17-13(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h1-8H,(H,15,17)(H,18,19)/p-1
InChIKeyYXVQPOZILUGWQW-UHFFFAOYSA-M
MW285.24 g/mol
LogP1.21
Rot. Bonds4

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

2-[(3-nitrophenyl)carbamoyl]benzoate (PubChem CID 6935895) has the molecular formula C14H9N2O5- and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(3-nitrophenyl)carbamoyl]benzoate
PubChem CID6935895
Molecular FormulaC14H9N2O5-
Molecular Weight285.24 g/mol
Exact Mass285.05
IUPAC Name2-[(3-nitrophenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N2O5/c17-13(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h1-8H,(H,15,17)(H,18,19)/p-1
InChIKeyYXVQPOZILUGWQW-UHFFFAOYSA-M
XLogP1.21
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
CID 3365473
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
CID 32989896
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)carbamoyl]benzoate?
The IUPAC name of 2-[(3-nitrophenyl)carbamoyl]benzoate (CID 6935895) is 2-[(3-nitrophenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(3-nitrophenyl)carbamoyl]benzoate?
The canonical SMILES for 2-[(3-nitrophenyl)carbamoyl]benzoate is O=C([O-])c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrophenyl)carbamoyl]benzoate?
The InChIKey is YXVQPOZILUGWQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N2O5/c17-13(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h1-8H,(H,15,17)(H,18,19)/p-1.
What are the key properties of 2-[(3-nitrophenyl)carbamoyl]benzoate?
2-[(3-nitrophenyl)carbamoyl]benzoate has a molecular weight of 285.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)carbamoyl]benzoate is sourced from PubChem (CID 6935895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).