(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide

C18H21FN2O — CID 124689942

IUPAC(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1F
InChIInChI=1S/C18H21FN2O/c1-12-8-9-15(10-17(12)19)13(2)21-18(22)16(11-20)14-6-4-3-5-7-14/h3-10,13,16H,11,20H2,1-2H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyFFRJZRWWVUOBNM-CZUORRHYSA-N
MW300.38 g/mol
LogP3.05
Rot. Bonds5

About (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide

(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide (PubChem CID 124689942) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
PubChem CID124689942
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1F
InChIInChI=1S/C18H21FN2O/c1-12-8-9-15(10-17(12)19)13(2)21-18(22)16(11-20)14-6-4-3-5-7-14/h3-10,13,16H,11,20H2,1-2H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyFFRJZRWWVUOBNM-CZUORRHYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)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

(2R)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124695556
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
2-(aminomethyl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-4,4-dimethylpentanamide
CID 107472449
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
CID 31195240
(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
CID 124683704
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119694035
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide (CID 124689942) is (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide is Cc1ccc([C@@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1F.
What is the InChIKey of (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide?
The InChIKey is FFRJZRWWVUOBNM-CZUORRHYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-8-9-15(10-17(12)19)13(2)21-18(22)16(11-20)14-6-4-3-5-7-14/h3-10,13,16H,11,20H2,1-2H3,(H,21,22)/t13-,16-/m1/s1.
What are the key properties of (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide?
(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 124689942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).