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

C13H8BrFN2O3 — CID 60667245

IUPAC2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1Br
InChIInChI=1S/C13H8BrFN2O3/c14-10-6-5-8(15)7-9(10)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyHDNZPRZMSXIMAG-UHFFFAOYSA-N
MW339.12 g/mol
LogP3.75
Rot. Bonds3

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

2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide (PubChem CID 60667245) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
PubChem CID60667245
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1Br
InChIInChI=1S/C13H8BrFN2O3/c14-10-6-5-8(15)7-9(10)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyHDNZPRZMSXIMAG-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

2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
CID 103979841
2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide (CID 60667245) is 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide?
The InChIKey is HDNZPRZMSXIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-10-6-5-8(15)7-9(10)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18).
What are the key properties of 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide?
2-bromo-5-fluoro-N-(2-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 2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 60667245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).