2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide

C11H11FN2O — CID 101483881

IUPAC2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(F)C#N)c1ccccc1
InChIInChI=1S/C11H11FN2O/c1-8(9-5-3-2-4-6-9)14-11(15)10(12)7-13/h2-6,8,10H,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeyDXHBHCYCCYRWKW-PEHGTWAWSA-N
MW206.22 g/mol
LogP1.73
Rot. Bonds3

About 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide

2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 101483881) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
PubChem CID101483881
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(F)C#N)c1ccccc1
InChIInChI=1S/C11H11FN2O/c1-8(9-5-3-2-4-6-9)14-11(15)10(12)7-13/h2-6,8,10H,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeyDXHBHCYCCYRWKW-PEHGTWAWSA-N
XLogP1.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-2-fluoro-N-[(1S)-1-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

(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 102438860
2-cyano-3-(4-fluorophenyl)-3-oxo-N-(1-phenylethyl)propanamide
CID 51086385
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide (CID 101483881) is 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)C(F)C#N)c1ccccc1.
What is the InChIKey of 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is DXHBHCYCCYRWKW-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8(9-5-3-2-4-6-9)14-11(15)10(12)7-13/h2-6,8,10H,1H3,(H,14,15)/t8-,10?/m0/s1.
What are the key properties of 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide?
2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 206.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 101483881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).