3,3-difluoro-N-methyl-N-phenacylpropanamide

C12H13F2NO2 — CID 86735697

IUPAC3,3-difluoro-N-methyl-N-phenacylpropanamide
SMILESCN(CC(=O)c1ccccc1)C(=O)CC(F)F
InChIInChI=1S/C12H13F2NO2/c1-15(12(17)7-11(13)14)8-10(16)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyAHHYNLNTHPEIOI-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.98
Rot. Bonds5

About 3,3-difluoro-N-methyl-N-phenacylpropanamide

3,3-difluoro-N-methyl-N-phenacylpropanamide (PubChem CID 86735697) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-N-phenacylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-N-phenacylpropanamide
PubChem CID86735697
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3,3-difluoro-N-methyl-N-phenacylpropanamide
SMILESCN(CC(=O)c1ccccc1)C(=O)CC(F)F
InChIInChI=1S/C12H13F2NO2/c1-15(12(17)7-11(13)14)8-10(16)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyAHHYNLNTHPEIOI-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenacylacetamide
CID 15482185
(2S)-N-methyl-N-phenacyl-2-phenylpropanamide
CID 78324200
N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 110476049
N,N,3-trimethyl-5-oxo-5-phenylpentanamide
CID 12640870
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
2-[methyl(phenacyl)amino]-3-phenylpropanoic acid
CID 23298527
3,5,5-trifluoro-1-phenylpentane-1,4-dione
CID 175401835

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-N-phenacylpropanamide?
The IUPAC name of 3,3-difluoro-N-methyl-N-phenacylpropanamide (CID 86735697) is 3,3-difluoro-N-methyl-N-phenacylpropanamide.
What is the SMILES notation for 3,3-difluoro-N-methyl-N-phenacylpropanamide?
The canonical SMILES for 3,3-difluoro-N-methyl-N-phenacylpropanamide is CN(CC(=O)c1ccccc1)C(=O)CC(F)F.
What is the InChIKey of 3,3-difluoro-N-methyl-N-phenacylpropanamide?
The InChIKey is AHHYNLNTHPEIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-15(12(17)7-11(13)14)8-10(16)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 3,3-difluoro-N-methyl-N-phenacylpropanamide?
3,3-difluoro-N-methyl-N-phenacylpropanamide has a molecular weight of 241.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-N-phenacylpropanamide is sourced from PubChem (CID 86735697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).