5-amino-N-(3-bromophenyl)-2-nitrobenzamide

C13H10BrN3O3 — CID 62154023

IUPAC5-amino-N-(3-bromophenyl)-2-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C13H10BrN3O3/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyFGSVHZAOMVUERQ-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.19
Rot. Bonds3

About 5-amino-N-(3-bromophenyl)-2-nitrobenzamide

5-amino-N-(3-bromophenyl)-2-nitrobenzamide (PubChem CID 62154023) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 5-amino-N-(3-bromophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-(3-bromophenyl)-2-nitrobenzamide
PubChem CID62154023
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name5-amino-N-(3-bromophenyl)-2-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C13H10BrN3O3/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyFGSVHZAOMVUERQ-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

5-amino-N-(3-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 104781598
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
5-amino-N-(4-iodophenyl)-2-nitrobenzamide
CID 62155605
N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
CID 107121691
5-amino-N-(4-fluoro-3-methylphenyl)-2-nitrobenzamide
CID 62811596
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide
CID 156635606
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982
5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
CID 62155739
5-amino-N-(2-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 62156280

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromophenyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-(3-bromophenyl)-2-nitrobenzamide (CID 62154023) is 5-amino-N-(3-bromophenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-(3-bromophenyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-(3-bromophenyl)-2-nitrobenzamide is Nc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 5-amino-N-(3-bromophenyl)-2-nitrobenzamide?
The InChIKey is FGSVHZAOMVUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of 5-amino-N-(3-bromophenyl)-2-nitrobenzamide?
5-amino-N-(3-bromophenyl)-2-nitrobenzamide 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 5-amino-N-(3-bromophenyl)-2-nitrobenzamide is sourced from PubChem (CID 62154023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).