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

C17H19FN2O — CID 61178322

IUPAC(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)16(19)11-13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12?,16-/m0/s1
InChIKeyNOPWMRMJTWONCN-INSVYWFGSA-N
MW286.35 g/mol
LogP2.57
Rot. Bonds5

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

(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 61178322) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
PubChem CID61178322
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)16(19)11-13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12?,16-/m0/s1
InChIKeyNOPWMRMJTWONCN-INSVYWFGSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
CID 43701793
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
CID 81380522
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119335132
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride
CID 120990602
(2S)-2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide (CID 61178322) is (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide is CC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1F.
What is the InChIKey of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is NOPWMRMJTWONCN-INSVYWFGSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)16(19)11-13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 61178322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).