2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide

C12H15F2NO — CID 134954879

IUPAC2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CNC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C12H15F2NO/c1-9(2)8-15-11(16)12(13,14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyNBKVBDFRTUSQLZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.55
Rot. Bonds4

About 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide

2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide (PubChem CID 134954879) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
PubChem CID134954879
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CNC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C12H15F2NO/c1-9(2)8-15-11(16)12(13,14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyNBKVBDFRTUSQLZ-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide
CID 130431732
2-[[(2,2-difluoro-2-phenylacetyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243190
(2R)-2-[(2,2-difluoro-2-phenylacetyl)amino]-3-methylbutanoic acid
CID 119369647
N-(2-amino-2-ethylbutyl)-2,2-difluoro-2-phenylacetamide;hydrochloride
CID 119641466
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
methyl 3-[(2,2-difluoro-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoate
CID 167942716

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide (CID 134954879) is 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide is CC(C)CNC(=O)C(F)(F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide?
The InChIKey is NBKVBDFRTUSQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-9(2)8-15-11(16)12(13,14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide?
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide has a molecular weight of 227.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 134954879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).