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

C15H10BrFN2O2 — CID 104854951

IUPAC3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H10BrFN2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-12(17)11(16)7-10/h2-7H,1H3,(H,19,20)
InChIKeyUYQVQVVBFKUZLI-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.72
Rot. Bonds3

About 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide

3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide (PubChem CID 104854951) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
PubChem CID104854951
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H10BrFN2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-12(17)11(16)7-10/h2-7H,1H3,(H,19,20)
InChIKeyUYQVQVVBFKUZLI-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

N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide (CID 104854951) is 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide is COc1cc(C#N)ccc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
The InChIKey is UYQVQVVBFKUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-12(17)11(16)7-10/h2-7H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide?
3-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 3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 104854951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).