(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide

C16H16ClNO2 — CID 2231697

IUPAC(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2/c1-11-5-3-8-15(9-11)20-12(2)16(19)18-14-7-4-6-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyLYZOUAORFVJWPD-LBPRGKRZSA-N
MW289.76 g/mol
LogP4.05
Rot. Bonds4

About (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide

(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide (PubChem CID 2231697) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
PubChem CID2231697
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2/c1-11-5-3-8-15(9-11)20-12(2)16(19)18-14-7-4-6-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyLYZOUAORFVJWPD-LBPRGKRZSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(3-chlorophenyl)-2-(3-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

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide (CID 2231697) is (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is LYZOUAORFVJWPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-5-3-8-15(9-11)20-12(2)16(19)18-14-7-4-6-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide?
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 289.76 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2231697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).