3-(2,2-difluoroethylamino)-N-phenylbutanamide

C12H16F2N2O — CID 114244264

IUPAC3-(2,2-difluoroethylamino)-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)NCC(F)F
InChIInChI=1S/C12H16F2N2O/c1-9(15-8-11(13)14)7-12(17)16-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,16,17)
InChIKeyXSFYRJSLWHILGK-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.26
Rot. Bonds6

About 3-(2,2-difluoroethylamino)-N-phenylbutanamide

3-(2,2-difluoroethylamino)-N-phenylbutanamide (PubChem CID 114244264) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-N-phenylbutanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-N-phenylbutanamide
PubChem CID114244264
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-(2,2-difluoroethylamino)-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)NCC(F)F
InChIInChI=1S/C12H16F2N2O/c1-9(15-8-11(13)14)7-12(17)16-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,16,17)
InChIKeyXSFYRJSLWHILGK-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoroethylamino)-N-phenylbutanamide 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-methylbutylamino)-N-phenylbutanamide
CID 114244260
3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
CID 111755628
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
CID 111755518
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
3-(cyclopentylamino)-N-phenylbutanamide
CID 113218911
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
CID 97019377
4-hydroxy-3-oxo-N-phenylpentanamide
CID 163189970

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)-N-phenylbutanamide?
The IUPAC name of 3-(2,2-difluoroethylamino)-N-phenylbutanamide (CID 114244264) is 3-(2,2-difluoroethylamino)-N-phenylbutanamide.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-N-phenylbutanamide?
The canonical SMILES for 3-(2,2-difluoroethylamino)-N-phenylbutanamide is CC(CC(=O)Nc1ccccc1)NCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)-N-phenylbutanamide?
The InChIKey is XSFYRJSLWHILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-9(15-8-11(13)14)7-12(17)16-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-(2,2-difluoroethylamino)-N-phenylbutanamide?
3-(2,2-difluoroethylamino)-N-phenylbutanamide has a molecular weight of 242.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)-N-phenylbutanamide is sourced from PubChem (CID 114244264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).