2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide

C15H10BrFN2O2 — CID 104848994

IUPAC2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H10BrFN2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)11-4-3-10(17)7-12(11)16/h2-7H,1H3,(H,19,20)
InChIKeyUMSCAGFEIRWWKC-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.72
Rot. Bonds3

About 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide

2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide (PubChem CID 104848994) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
PubChem CID104848994
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H10BrFN2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)11-4-3-10(17)7-12(11)16/h2-7H,1H3,(H,19,20)
InChIKeyUMSCAGFEIRWWKC-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-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105387348
3-bromo-4-(4-fluoro-2-methoxyanilino)benzonitrile
CID 82798283
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide (CID 104848994) is 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide is COc1cc(C#N)ccc1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
The InChIKey is UMSCAGFEIRWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)11-4-3-10(17)7-12(11)16/h2-7H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide 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-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 104848994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).