N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide

C13H7BrF2N2O3 — CID 43215688

IUPACN-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7BrF2N2O3/c14-8-2-4-11(10(16)6-8)17-13(19)7-1-3-9(15)12(5-7)18(20)21/h1-6H,(H,17,19)
InChIKeyWIAXOEXXZUTEQG-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.89
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide

N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide (PubChem CID 43215688) has the molecular formula C13H7BrF2N2O3 and a molecular weight of 357.11 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
PubChem CID43215688
Molecular FormulaC13H7BrF2N2O3
Molecular Weight357.11 g/mol
Exact Mass355.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7BrF2N2O3/c14-8-2-4-11(10(16)6-8)17-13(19)7-1-3-9(15)12(5-7)18(20)21/h1-6H,(H,17,19)
InChIKeyWIAXOEXXZUTEQG-UHFFFAOYSA-N
XLogP3.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.89
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

N-(4-bromo-2-fluorophenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 7771079
N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361
N-(4-bromo-2-methylphenyl)-3-fluoro-4-nitrobenzamide
CID 62681982
N-(3-bromo-5-methylphenyl)-4-fluoro-3-nitrobenzamide
CID 104938562
N-(4-bromo-2-fluorophenyl)-2,4-dinitrobenzamide
CID 3306901
4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
CID 60628101
N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
CID 63658381
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
N-(4-bromo-2-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 112790080
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721
4-bromo-1-fluoro-2-nitrobenzene;N-(5-bromo-2-fluorophenyl)acetamide
CID 159218449

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide (CID 43215688) is N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide is O=C(Nc1ccc(Br)cc1F)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide?
The InChIKey is WIAXOEXXZUTEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2O3/c14-8-2-4-11(10(16)6-8)17-13(19)7-1-3-9(15)12(5-7)18(20)21/h1-6H,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide?
N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide has a molecular weight of 357.11 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 43215688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).