N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide

C15H10F2N2O2 — CID 104848992

IUPACN-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,19,20)
InChIKeyIQEVBDSGDZVHJM-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.10
Rot. Bonds3

About N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide

N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide (PubChem CID 104848992) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
PubChem CID104848992
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC NameN-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,19,20)
InChIKeyIQEVBDSGDZVHJM-UHFFFAOYSA-N
XLogP3.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
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
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide (CID 104848992) is N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide is COc1cc(C#N)ccc1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide?
The InChIKey is IQEVBDSGDZVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-21-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,19,20).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide?
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide has a molecular weight of 288.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide is sourced from PubChem (CID 104848992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).