(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide

C17H17Cl2NO3 — CID 1222422

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NO3/c1-10-8-12(18)4-6-15(10)23-11(2)17(21)20-14-9-13(19)5-7-16(14)22-3/h4-9,11H,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyWDKIJBWTRPPSBE-LLVKDONJSA-N
MW354.23 g/mol
LogP4.72
Rot. Bonds5

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 1222422) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID1222422
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NO3/c1-10-8-12(18)4-6-15(10)23-11(2)17(21)20-14-9-13(19)5-7-16(14)22-3/h4-9,11H,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyWDKIJBWTRPPSBE-LLVKDONJSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide (CID 1222422) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide is COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is WDKIJBWTRPPSBE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-10-8-12(18)4-6-15(10)23-11(2)17(21)20-14-9-13(19)5-7-16(14)22-3/h4-9,11H,1-3H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 354.23 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 1222422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).