2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide

C18H19Cl2NO2 — CID 132653123

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-7-8-15(20)12(3)9-14)18(22)21-16-10-13(19)6-5-11(16)2/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyWYSCXGFVZRDERY-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.41
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide

2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide (PubChem CID 132653123) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
PubChem CID132653123
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-7-8-15(20)12(3)9-14)18(22)21-16-10-13(19)6-5-11(16)2/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyWYSCXGFVZRDERY-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-(4-chloro-2-methylphenyl)butanamide
CID 132653122
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide (CID 132653123) is 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
The InChIKey is WYSCXGFVZRDERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-4-17(23-14-7-8-15(20)12(3)9-14)18(22)21-16-10-13(19)6-5-11(16)2/h5-10,17H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(5-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-(5-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 132653123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).