2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide

C18H20ClNO2 — CID 43905074

IUPAC2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20ClNO2/c1-4-17(22-15-7-5-6-14(19)11-15)18(21)20-16-10-12(2)8-9-13(16)3/h5-11,17H,4H2,1-3H3,(H,20,21)
InChIKeyUQFWQLILKFODKV-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.75
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide

2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide (PubChem CID 43905074) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
PubChem CID43905074
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20ClNO2/c1-4-17(22-15-7-5-6-14(19)11-15)18(21)20-16-10-12(2)8-9-13(16)3/h5-11,17H,4H2,1-3H3,(H,20,21)
InChIKeyUQFWQLILKFODKV-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)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

(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
CID 132654216

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide (CID 43905074) is 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
The InChIKey is UQFWQLILKFODKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-17(22-15-7-5-6-14(19)11-15)18(21)20-16-10-12(2)8-9-13(16)3/h5-11,17H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide is sourced from PubChem (CID 43905074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).