(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide

C18H20ClNO2 — CID 9297447

IUPAC(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1Cl
InChIInChI=1S/C18H20ClNO2/c1-11-8-9-15(10-16(11)19)20-18(21)14(4)22-17-12(2)6-5-7-13(17)3/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyKYKWNKZOGYDEEX-AWEZNQCLSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

About (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide

(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide (PubChem CID 9297447) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
PubChem CID9297447
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1Cl
InChIInChI=1S/C18H20ClNO2/c1-11-8-9-15(10-16(11)19)20-18(21)14(4)22-17-12(2)6-5-7-13(17)3/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyKYKWNKZOGYDEEX-AWEZNQCLSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 82027590
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide (CID 9297447) is (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
The InChIKey is KYKWNKZOGYDEEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-8-9-15(10-16(11)19)20-18(21)14(4)22-17-12(2)6-5-7-13(17)3/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.67, 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-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 9297447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).