2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide

C13H14F2N2O — CID 115175159

IUPAC2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C(C)(C)C#N
InChIInChI=1S/C13H14F2N2O/c1-13(2,8-16)12(18)17(3)7-9-4-5-10(14)6-11(9)15/h4-6H,7H2,1-3H3
InChIKeyBYNJOZZWYDWUFP-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.47
Rot. Bonds3

About 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide

2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 115175159) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide
PubChem CID115175159
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C(C)(C)C#N
InChIInChI=1S/C13H14F2N2O/c1-13(2,8-16)12(18)17(3)7-9-4-5-10(14)6-11(9)15/h4-6H,7H2,1-3H3
InChIKeyBYNJOZZWYDWUFP-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide (CID 115175159) is 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide is CN(Cc1ccc(F)cc1F)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is BYNJOZZWYDWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-13(2,8-16)12(18)17(3)7-9-4-5-10(14)6-11(9)15/h4-6H,7H2,1-3H3.
What are the key properties of 2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide?
2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 252.26 g/mol, XLogP of 2.47, 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)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 115175159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).