2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide

C15H10BrFN2O2 — CID 43580467

IUPAC2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H10BrFN2O2/c1-21-9-5-6-12(16)10(7-9)15(20)19-14-4-2-3-13(17)11(14)8-18/h2-7H,1H3,(H,19,20)
InChIKeyUFQTVVFGOKQTLL-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.72
Rot. Bonds3

About 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide

2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide (PubChem CID 43580467) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
PubChem CID43580467
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H10BrFN2O2/c1-21-9-5-6-12(16)10(7-9)15(20)19-14-4-2-3-13(17)11(14)8-18/h2-7H,1H3,(H,19,20)
InChIKeyUFQTVVFGOKQTLL-UHFFFAOYSA-N
XLogP3.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 60954359
2-bromo-N-(2-cyano-3-fluorophenyl)-5-sulfanylbenzamide
CID 107023196
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
CID 103479738
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
CID 43580325
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
CID 106852092
2-bromo-N-(2-cyano-3-methylphenyl)-5-iodobenzamide
CID 106547457
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide (CID 43580467) is 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
The InChIKey is UFQTVVFGOKQTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-21-9-5-6-12(16)10(7-9)15(20)19-14-4-2-3-13(17)11(14)8-18/h2-7H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide has a molecular weight of 349.16 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide is sourced from PubChem (CID 43580467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).