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

C17H19ClN2O — CID 81355557

IUPAC(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(14-7-9-15(18)10-8-14)20-17(21)16(19)11-13-5-3-2-4-6-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16-/m0/s1
InChIKeyLVZVBVPRXGINJC-LRDDRELGSA-N
MW302.81 g/mol
LogP3.09
Rot. Bonds5

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

(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 81355557) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
PubChem CID81355557
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(14-7-9-15(18)10-8-14)20-17(21)16(19)11-13-5-3-2-4-6-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16-/m0/s1
InChIKeyLVZVBVPRXGINJC-LRDDRELGSA-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 ≤ 500302.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 175869880
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoic acid
CID 175952202
benzyl N-[(2S)-1-[1-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55929771
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
(2S)-2-amino-N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(4-chlorophenyl)propanamide;dihydrochloride
CID 70254310

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide (CID 81355557) is (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide is C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is LVZVBVPRXGINJC-LRDDRELGSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(14-7-9-15(18)10-8-14)20-17(21)16(19)11-13-5-3-2-4-6-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 302.81 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 (2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 81355557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).