(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide

C17H18ClNO2 — CID 9297165

IUPAC(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11-7-6-8-12(2)16(11)21-13(3)17(20)19-15-10-5-4-9-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyHJJOKMVXFXCLBN-ZDUSSCGKSA-N
MW303.79 g/mol
LogP4.36
Rot. Bonds4

About (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide

(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide (PubChem CID 9297165) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
PubChem CID9297165
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11-7-6-8-12(2)16(11)21-13(3)17(20)19-15-10-5-4-9-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyHJJOKMVXFXCLBN-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

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Related Compounds

N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide (CID 9297165) is (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide is Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide?
The InChIKey is HJJOKMVXFXCLBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-7-6-8-12(2)16(11)21-13(3)17(20)19-15-10-5-4-9-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide?
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)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-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 9297165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).