(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide

C17H17Cl2NO2 — CID 28632431

IUPAC(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-14-6-4-5-12(18)10-14)17(21)20-15-8-7-13(19)9-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyRODYRKYYXVWXHY-MRXNPFEDSA-N
MW338.23 g/mol
LogP5.10
Rot. Bonds5

About (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide

(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide (PubChem CID 28632431) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
PubChem CID28632431
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-14-6-4-5-12(18)10-14)17(21)20-15-8-7-13(19)9-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyRODYRKYYXVWXHY-MRXNPFEDSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
(2S)-2-(3-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 99949605
2-(3-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 132610349
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
The IUPAC name of (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide (CID 28632431) is (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
The canonical SMILES for (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
The InChIKey is RODYRKYYXVWXHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-16(22-14-6-4-5-12(18)10-14)17(21)20-15-8-7-13(19)9-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide has a molecular weight of 338.23 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide is sourced from PubChem (CID 28632431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).