2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide

C13H9BrClN3O3 — CID 63110574

IUPAC2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-7-1-4-11(12(5-7)18(20)21)17-13(19)9-3-2-8(15)6-10(9)16/h1-6H,16H2,(H,17,19)
InChIKeyKQLOZWLYOZPFTG-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.85
Rot. Bonds3

About 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide

2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide (PubChem CID 63110574) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
PubChem CID63110574
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-7-1-4-11(12(5-7)18(20)21)17-13(19)9-3-2-8(15)6-10(9)16/h1-6H,16H2,(H,17,19)
InChIKeyKQLOZWLYOZPFTG-UHFFFAOYSA-N
XLogP3.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.85
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-(4-bromo-2-nitrophenyl)-4-chlorobenzamide 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-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62789270
(4-bromo-2-nitrophenyl)urea
CID 54074030
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864629
5-bromo-2-chloro-N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide
CID 3348491

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide?
The IUPAC name of 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide (CID 63110574) is 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide is Nc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide?
The InChIKey is KQLOZWLYOZPFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-7-1-4-11(12(5-7)18(20)21)17-13(19)9-3-2-8(15)6-10(9)16/h1-6H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide?
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide has a molecular weight of 370.59 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide is sourced from PubChem (CID 63110574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).