4-(2,4-dichlorophenoxy)-N-phenylbutanamide

C16H15Cl2NO2 — CID 2169139

IUPAC4-(2,4-dichlorophenoxy)-N-phenylbutanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c17-12-8-9-15(14(18)11-12)21-10-4-7-16(20)19-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyHYCOHMJLZWBWEN-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.79
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-phenylbutanamide

4-(2,4-dichlorophenoxy)-N-phenylbutanamide (PubChem CID 2169139) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-phenylbutanamide
PubChem CID2169139
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name4-(2,4-dichlorophenoxy)-N-phenylbutanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c17-12-8-9-15(14(18)11-12)21-10-4-7-16(20)19-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyHYCOHMJLZWBWEN-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,4-dichlorophenoxy)-N-phenylbutanamide 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

(R,S)-2-(2,4-dichloro-m-tolyloxy)propionanilide
CID 93482
Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
Mls002693844
CID 252028
Zinc00711147
CID 1039828
N-(4-(2,4-Dichlorophenoxy)phenyl)acetamide
CID 3017018
N-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
(4-{[2-(2,4-Dichlorophenoxy)propanoyl]amino}phenoxy)acetic acid
CID 2950746
2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 662966
N-[4-[5-(4-acetamido-2-chlorophenoxy)pentoxy]-3-chlorophenyl]acetamide
CID 44531032
4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide
CID 2227430
4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 2789890

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-phenylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-phenylbutanamide (CID 2169139) is 4-(2,4-dichlorophenoxy)-N-phenylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-phenylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-phenylbutanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-phenylbutanamide?
The InChIKey is HYCOHMJLZWBWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-12-8-9-15(14(18)11-12)21-10-4-7-16(20)19-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-phenylbutanamide?
4-(2,4-dichlorophenoxy)-N-phenylbutanamide has a molecular weight of 324.21 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-phenylbutanamide is sourced from PubChem (CID 2169139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).