3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide

C14H7BrF2N2O — CID 103707295

IUPAC3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
SMILESN#Cc1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1F
InChIInChI=1S/C14H7BrF2N2O/c15-11-6-8(1-3-13(11)17)14(20)19-10-2-4-12(16)9(5-10)7-18/h1-6H,(H,19,20)
InChIKeyAPIFMVMKXLNKBY-UHFFFAOYSA-N
MW337.12 g/mol
LogP3.85
Rot. Bonds2

About 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide

3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide (PubChem CID 103707295) has the molecular formula C14H7BrF2N2O and a molecular weight of 337.12 g/mol. Its IUPAC name is 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
PubChem CID103707295
Molecular FormulaC14H7BrF2N2O
Molecular Weight337.12 g/mol
Exact Mass335.97
IUPAC Name3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
SMILESN#Cc1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1F
InChIInChI=1S/C14H7BrF2N2O/c15-11-6-8(1-3-13(11)17)14(20)19-10-2-4-12(16)9(5-10)7-18/h1-6H,(H,19,20)
InChIKeyAPIFMVMKXLNKBY-UHFFFAOYSA-N
XLogP3.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765200
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide (CID 103707295) is 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide is N#Cc1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1F.
What is the InChIKey of 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide?
The InChIKey is APIFMVMKXLNKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O/c15-11-6-8(1-3-13(11)17)14(20)19-10-2-4-12(16)9(5-10)7-18/h1-6H,(H,19,20).
What are the key properties of 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide?
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide has a molecular weight of 337.12 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 103707295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).