N-(2,2-difluoro-1,2-diphenylethyl)propanamide

C17H17F2NO — CID 134936951

IUPACN-(2,2-difluoro-1,2-diphenylethyl)propanamide
SMILESCCC(=O)NC(c1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-15(21)20-16(13-9-5-3-6-10-13)17(18,19)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3,(H,20,21)
InChIKeyCSLVQUPRYYIPIK-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.05
Rot. Bonds5

About N-(2,2-difluoro-1,2-diphenylethyl)propanamide

N-(2,2-difluoro-1,2-diphenylethyl)propanamide (PubChem CID 134936951) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2,2-difluoro-1,2-diphenylethyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,2-diphenylethyl)propanamide
PubChem CID134936951
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-(2,2-difluoro-1,2-diphenylethyl)propanamide
SMILESCCC(=O)NC(c1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-15(21)20-16(13-9-5-3-6-10-13)17(18,19)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3,(H,20,21)
InChIKeyCSLVQUPRYYIPIK-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
N-(3-hydroxy-3,3-diphenylpropyl)propanamide
CID 110177801
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
CID 51094643
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 122592350
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
(2,2,3,3,3-pentafluoro-1-phenylpropyl)carbamic acid
CID 57302331
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,2-diphenylethyl)propanamide?
The IUPAC name of N-(2,2-difluoro-1,2-diphenylethyl)propanamide (CID 134936951) is N-(2,2-difluoro-1,2-diphenylethyl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-1,2-diphenylethyl)propanamide?
The canonical SMILES for N-(2,2-difluoro-1,2-diphenylethyl)propanamide is CCC(=O)NC(c1ccccc1)C(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-1,2-diphenylethyl)propanamide?
The InChIKey is CSLVQUPRYYIPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-2-15(21)20-16(13-9-5-3-6-10-13)17(18,19)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3,(H,20,21).
What are the key properties of N-(2,2-difluoro-1,2-diphenylethyl)propanamide?
N-(2,2-difluoro-1,2-diphenylethyl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,2-diphenylethyl)propanamide is sourced from PubChem (CID 134936951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).