(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide

C17H17Cl2NO2 — CID 6922800

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10-5-4-6-11(2)16(10)20-17(21)12(3)22-15-8-7-13(18)9-14(15)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyYACQCFCSRCFYLU-LBPRGKRZSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 6922800) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
PubChem CID6922800
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10-5-4-6-11(2)16(10)20-17(21)12(3)22-15-8-7-13(18)9-14(15)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyYACQCFCSRCFYLU-LBPRGKRZSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 4097411
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 40771361
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide (CID 6922800) is (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is YACQCFCSRCFYLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-5-4-6-11(2)16(10)20-17(21)12(3)22-15-8-7-13(18)9-14(15)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 338.23 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 6922800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).