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

C13H10ClN3O3 — CID 62155739

IUPAC5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H10ClN3O3/c14-10-3-1-2-4-11(10)16-13(18)9-7-8(15)5-6-12(9)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyPSFBAFJPPIRQAG-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.08
Rot. Bonds3

About 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide

5-amino-N-(2-chlorophenyl)-2-nitrobenzamide (PubChem CID 62155739) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
PubChem CID62155739
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H10ClN3O3/c14-10-3-1-2-4-11(10)16-13(18)9-7-8(15)5-6-12(9)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyPSFBAFJPPIRQAG-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 5-amino-N-(2-chlorophenyl)-2-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-chlorophenyl)-3-nitrobenzamide
CID 115677618
5-amino-N-(5-chloro-2-methylphenyl)-2-nitrobenzamide
CID 62152485
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
5-amino-N-(4-iodophenyl)-2-nitrobenzamide
CID 62155605
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-amino-N-(2-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 62156280
5-amino-N-(2-fluoro-5-methylphenyl)-2-nitrobenzamide
CID 62156286
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
5-amino-N-(3-bromophenyl)-2-nitrobenzamide
CID 62154023

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide (CID 62155739) is 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide is Nc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide?
The InChIKey is PSFBAFJPPIRQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-10-3-1-2-4-11(10)16-13(18)9-7-8(15)5-6-12(9)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide?
5-amino-N-(2-chlorophenyl)-2-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 5-amino-N-(2-chlorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 62155739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).