(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide

C17H19FN2O — CID 122368235

IUPAC(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)C[C@H](N)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-12(13-5-3-2-4-6-13)20-17(21)11-16(19)14-7-9-15(18)10-8-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16+/m1/s1
InChIKeyLSAKWRFKBSCCCE-WBMJQRKESA-N
MW286.35 g/mol
LogP3.09
Rot. Bonds5

About (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide

(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 122368235) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
PubChem CID122368235
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)C[C@H](N)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-12(13-5-3-2-4-6-13)20-17(21)11-16(19)14-7-9-15(18)10-8-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16+/m1/s1
InChIKeyLSAKWRFKBSCCCE-WBMJQRKESA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351821
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351309
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
CID 119951982
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide (CID 122368235) is (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)C[C@H](N)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is LSAKWRFKBSCCCE-WBMJQRKESA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(13-5-3-2-4-6-13)20-17(21)11-16(19)14-7-9-15(18)10-8-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16+/m1/s1.
What are the key properties of (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide?
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 122368235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).