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

C13H10BrN3O3 — CID 79714381

IUPAC2-amino-4-bromo-N-(2-nitrophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyLFVLMYOZHRXPAM-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.19
Rot. Bonds3

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

2-amino-4-bromo-N-(2-nitrophenyl)benzamide (PubChem CID 79714381) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-nitrophenyl)benzamide
PubChem CID79714381
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name2-amino-4-bromo-N-(2-nitrophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyLFVLMYOZHRXPAM-UHFFFAOYSA-N
XLogP3.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.19
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'}

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Related Compounds

2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681100
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 79721735
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
2-amino-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
(4-bromo-2-nitrophenyl)urea
CID 54074030

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-nitrophenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-nitrophenyl)benzamide (CID 79714381) is 2-amino-4-bromo-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-nitrophenyl)benzamide is Nc1cc(Br)ccc1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-bromo-N-(2-nitrophenyl)benzamide?
The InChIKey is LFVLMYOZHRXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of 2-amino-4-bromo-N-(2-nitrophenyl)benzamide?
2-amino-4-bromo-N-(2-nitrophenyl)benzamide has a molecular weight of 336.15 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 79714381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).