2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide

C18H19Cl2NO2 — CID 132653122

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-6-7-15(20)11(2)10-14)18(22)21-16-8-5-13(19)9-12(16)3/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyFZEKKZVWWZISQK-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.41
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide

2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide (PubChem CID 132653122) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
PubChem CID132653122
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-6-7-15(20)11(2)10-14)18(22)21-16-8-5-13(19)9-12(16)3/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyFZEKKZVWWZISQK-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
N-(2,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034427
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide (CID 132653122) is 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
The InChIKey is FZEKKZVWWZISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-4-17(23-14-6-7-15(20)11(2)10-14)18(22)21-16-8-5-13(19)9-12(16)3/h5-10,17H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide has a molecular weight of 352.26 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 132653122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).