(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide

C17H18ClNO2 — CID 837792

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H18ClNO2/c1-11-7-4-5-10-16(11)21-13(3)17(20)19-15-9-6-8-14(18)12(15)2/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyVQPSLUJOJGYAEF-ZDUSSCGKSA-N
MW303.79 g/mol
LogP4.36
Rot. Bonds4

About (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide (PubChem CID 837792) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
PubChem CID837792
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H18ClNO2/c1-11-7-4-5-10-16(11)21-13(3)17(20)19-15-9-6-8-14(18)12(15)2/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyVQPSLUJOJGYAEF-ZDUSSCGKSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(3-chloro-2-methylphenyl)-2-(2-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

(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 15917903
(2R)-2-(2-methylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 30392256
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
CID 71462077

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide (CID 837792) is (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide?
The InChIKey is VQPSLUJOJGYAEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-7-4-5-10-16(11)21-13(3)17(20)19-15-9-6-8-14(18)12(15)2/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 837792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).