5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide

C13H8BrFN2O3 — CID 9410966

IUPAC5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1F
InChIInChI=1S/C13H8BrFN2O3/c14-8-4-5-12(15)11(6-8)13(18)16-9-2-1-3-10(7-9)17(19)20/h1-7H,(H,16,18)
InChIKeyCMGDOVRWSSMNKR-UHFFFAOYSA-N
MW339.12 g/mol
LogP3.75
Rot. Bonds3

About 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide

5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide (PubChem CID 9410966) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
PubChem CID9410966
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1F
InChIInChI=1S/C13H8BrFN2O3/c14-8-4-5-12(15)11(6-8)13(18)16-9-2-1-3-10(7-9)17(19)20/h1-7H,(H,16,18)
InChIKeyCMGDOVRWSSMNKR-UHFFFAOYSA-N
XLogP3.75
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
[2-(3-nitroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387832
6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide
CID 24618299
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide (CID 9410966) is 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide?
The InChIKey is CMGDOVRWSSMNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-8-4-5-12(15)11(6-8)13(18)16-9-2-1-3-10(7-9)17(19)20/h1-7H,(H,16,18).
What are the key properties of 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide?
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide has a molecular weight of 339.12 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 9410966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).