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

C17H17Cl2NO2 — CID 132651835

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-12-8-9-13(18)11(2)10-12)17(21)20-15-7-5-4-6-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyMRQRXWAHNWPATQ-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.10
Rot. Bonds5

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

2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide (PubChem CID 132651835) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
PubChem CID132651835
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-12-8-9-13(18)11(2)10-12)17(21)20-15-7-5-4-6-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyMRQRXWAHNWPATQ-UHFFFAOYSA-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

Analyze 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide (CID 132651835) is 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide?
The InChIKey is MRQRXWAHNWPATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-16(22-12-8-9-13(18)11(2)10-12)17(21)20-15-7-5-4-6-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)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 2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide is sourced from PubChem (CID 132651835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).