3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide

C17H19FN2O — CID 81347787

IUPAC3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
SMILESC[C@H](NC(=O)C(CN)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(13-7-9-15(18)10-8-13)20-17(21)16(11-19)14-5-3-2-4-6-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16?/m0/s1
InChIKeyAGVYTTDZXDEFMP-HKALDPMFSA-N
MW286.35 g/mol
LogP2.75
Rot. Bonds5

About 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide

3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide (PubChem CID 81347787) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
PubChem CID81347787
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
SMILESC[C@H](NC(=O)C(CN)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(13-7-9-15(18)10-8-13)20-17(21)16(11-19)14-5-3-2-4-6-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16?/m0/s1
InChIKeyAGVYTTDZXDEFMP-HKALDPMFSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide 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

(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124689942
(2R)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124695556
(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
CID 124683704
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 8578892
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
CID 107472487
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide (CID 81347787) is 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide is C[C@H](NC(=O)C(CN)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide?
The InChIKey is AGVYTTDZXDEFMP-HKALDPMFSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(13-7-9-15(18)10-8-13)20-17(21)16(11-19)14-5-3-2-4-6-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16?/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide?
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 81347787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).