2-amino-N-(2-chlorophenyl)-3-nitrobenzamide

C13H10ClN3O3 — CID 115677618

IUPAC2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
SMILESNc1c(C(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O3/c14-9-5-1-2-6-10(9)16-13(18)8-4-3-7-11(12(8)15)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyGPKBQPZMTZUCJT-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide

2-amino-N-(2-chlorophenyl)-3-nitrobenzamide (PubChem CID 115677618) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
PubChem CID115677618
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
SMILESNc1c(C(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O3/c14-9-5-1-2-6-10(9)16-13(18)8-4-3-7-11(12(8)15)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyGPKBQPZMTZUCJT-UHFFFAOYSA-N
XLogP3.08
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide 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-chloro-4-iodophenyl)-3-nitrobenzamide
CID 103732791
2-amino-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
CID 62155739
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
2-amino-N-(3-chlorophenyl)-3-nitrobenzamide
CID 115677622
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-nitrobenzamide
CID 103733966
2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 115678487
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide (CID 115677618) is 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide is Nc1c(C(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide?
The InChIKey is GPKBQPZMTZUCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-9-5-1-2-6-10(9)16-13(18)8-4-3-7-11(12(8)15)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide?
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide has a molecular weight of 291.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chlorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 115677618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).