2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide

C12H12F2N2O — CID 113231690

IUPAC2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
SMILESCN(CC(F)F)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H12F2N2O/c1-16(8-11(13)14)12(17)6-9-2-4-10(7-15)5-3-9/h2-5,11H,6,8H2,1H3
InChIKeyHXLYIFUTBBSWTR-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide

2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide (PubChem CID 113231690) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
PubChem CID113231690
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
SMILESCN(CC(F)F)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H12F2N2O/c1-16(8-11(13)14)12(17)6-9-2-4-10(7-15)5-3-9/h2-5,11H,6,8H2,1H3
InChIKeyHXLYIFUTBBSWTR-UHFFFAOYSA-N
XLogP1.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
CID 63611364
2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 62403845
2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692010
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 39861213
4-(2,4,4-trifluoro-3-oxobutyl)benzonitrile
CID 175527432
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide (CID 113231690) is 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide is CN(CC(F)F)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The InChIKey is HXLYIFUTBBSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-16(8-11(13)14)12(17)6-9-2-4-10(7-15)5-3-9/h2-5,11H,6,8H2,1H3.
What are the key properties of 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide?
2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide has a molecular weight of 238.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide is sourced from PubChem (CID 113231690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).