2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide

C13H14F2N2O — CID 115188569

IUPAC2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)10(7-16)13(18)17(3)12-5-4-9(14)6-11(12)15/h4-6,8,10H,1-3H3
InChIKeyUMSVUHCGRSCRGF-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.72
Rot. Bonds3

About 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide

2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide (PubChem CID 115188569) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
PubChem CID115188569
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)10(7-16)13(18)17(3)12-5-4-9(14)6-11(12)15/h4-6,8,10H,1-3H3
InChIKeyUMSVUHCGRSCRGF-UHFFFAOYSA-N
XLogP2.72
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
CID 115153564
2-cyano-N-(4-fluoro-3-methylphenyl)-N,3-dimethylbutanamide
CID 115188553
2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide
CID 3611810
2-(2,4-difluoro-N-methylanilino)propanenitrile
CID 115130007
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555
methyl N-(2,4-difluorophenyl)-N-methylcarbamate
CID 67276002
N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide
CID 115188587
2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
CID 115188570
methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate
CID 115142279
2-(2,6-difluorobenzoyl)-3-methylbutanenitrile
CID 61311256
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443
2-(5-chloro-2-fluorobenzoyl)-3-methylbutanenitrile
CID 61312210

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide (CID 115188569) is 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide is CC(C)C(C#N)C(=O)N(C)c1ccc(F)cc1F.
What is the InChIKey of 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide?
The InChIKey is UMSVUHCGRSCRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8(2)10(7-16)13(18)17(3)12-5-4-9(14)6-11(12)15/h4-6,8,10H,1-3H3.
What are the key properties of 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide?
2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide has a molecular weight of 252.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115188569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).