(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide

C17H17Cl2NO2 — CID 9180357

IUPAC(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-10-7-11(2)9-13(8-10)22-12(3)17(21)20-16-14(18)5-4-6-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyUXRRGQNQTWBPJQ-LBPRGKRZSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

About (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide

(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 9180357) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID9180357
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-10-7-11(2)9-13(8-10)22-12(3)17(21)20-16-14(18)5-4-6-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyUXRRGQNQTWBPJQ-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

(2R)-N-(2,6-dichlorophenyl)-2-(3-methylphenoxy)propanamide
CID 41176982
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 1225320
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide (CID 9180357) is (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is UXRRGQNQTWBPJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-7-11(2)9-13(8-10)22-12(3)17(21)20-16-14(18)5-4-6-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide?
(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)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)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 9180357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).