N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide

C15H10F2N2O2 — CID 82683757

IUPACN-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H10F2N2O2/c1-21-13-4-2-3-11(17)14(13)15(20)19-12-6-5-10(16)7-9(12)8-18/h2-7H,1H3,(H,19,20)
InChIKeyJTJOQBSLLWYJII-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.10
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide

N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide (PubChem CID 82683757) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
PubChem CID82683757
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H10F2N2O2/c1-21-13-4-2-3-11(17)14(13)15(20)19-12-6-5-10(16)7-9(12)8-18/h2-7H,1H3,(H,19,20)
InChIKeyJTJOQBSLLWYJII-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

2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
CID 82013560
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide (CID 82683757) is N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is JTJOQBSLLWYJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-21-13-4-2-3-11(17)14(13)15(20)19-12-6-5-10(16)7-9(12)8-18/h2-7H,1H3,(H,19,20).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide?
N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide 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-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 82683757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).