N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide

C17H17F2NO — CID 134936950

IUPACN-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-12-8-10-14(11-9-12)16(20-13(2)21)17(18,19)15-6-4-3-5-7-15/h3-11,16H,1-2H3,(H,20,21)
InChIKeyVHFGAVYHEYBWEQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.96
Rot. Bonds4

About N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide

N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide (PubChem CID 134936950) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide
PubChem CID134936950
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-12-8-10-14(11-9-12)16(20-13(2)21)17(18,19)15-6-4-3-5-7-15/h3-11,16H,1-2H3,(H,20,21)
InChIKeyVHFGAVYHEYBWEQ-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide 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

Remacemide
CID 60511
SA-58035
CID 122215
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
Ksp-IA
CID 24901494

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide?
The IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide (CID 134936950) is N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide.
What is the SMILES notation for N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide?
The canonical SMILES for N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide is CC(=O)NC(c1ccc(C)cc1)C(F)(F)c1ccccc1.
What is the InChIKey of N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide?
The InChIKey is VHFGAVYHEYBWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-12-8-10-14(11-9-12)16(20-13(2)21)17(18,19)15-6-4-3-5-7-15/h3-11,16H,1-2H3,(H,20,21).
What are the key properties of N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide?
N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide has a molecular weight of 289.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(4-methylphenyl)-2-phenylethyl]acetamide is sourced from PubChem (CID 134936950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).