(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide

C18H19ClN2O3 — CID 94058730

IUPAC(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide
SMILESCc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-8-9-14(19)15(10-11)24-12(2)18(23)21-16(17(20)22)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3,(H2,20,22)(H,21,23)/t12-,16+/m1/s1
InChIKeyASEBQLGGEHPGIW-WBMJQRKESA-N
MW346.81 g/mol
LogP2.76
Rot. Bonds6

About (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide

(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide (PubChem CID 94058730) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide
PubChem CID94058730
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide
SMILESCc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-8-9-14(19)15(10-11)24-12(2)18(23)21-16(17(20)22)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3,(H2,20,22)(H,21,23)/t12-,16+/m1/s1
InChIKeyASEBQLGGEHPGIW-WBMJQRKESA-N
XLogP2.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide 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

N-(2-amino-2-oxo-1-phenylethyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 51315223
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51085826
(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide
CID 94047744
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
CID 92683815
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide (CID 94058730) is (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide is Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)c1.
What is the InChIKey of (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide?
The InChIKey is ASEBQLGGEHPGIW-WBMJQRKESA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-8-9-14(19)15(10-11)24-12(2)18(23)21-16(17(20)22)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3,(H2,20,22)(H,21,23)/t12-,16+/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide?
(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide has a molecular weight of 346.81 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide is sourced from PubChem (CID 94058730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).