2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide

C19H20Cl2FNO2 — CID 71229553

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide
SMILESCCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H20Cl2FNO2/c1-3-4-17(13-5-8-15(22)9-6-13)23-19(24)12(2)25-18-10-7-14(20)11-16(18)21/h5-12,17H,3-4H2,1-2H3,(H,23,24)
InChIKeySQSXXRYHMKMCHG-UHFFFAOYSA-N
MW384.28 g/mol
LogP5.56
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide

2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide (PubChem CID 71229553) has the molecular formula C19H20Cl2FNO2 and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide
PubChem CID71229553
Molecular FormulaC19H20Cl2FNO2
Molecular Weight384.28 g/mol
Exact Mass383.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide
SMILESCCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H20Cl2FNO2/c1-3-4-17(13-5-8-15(22)9-6-13)23-19(24)12(2)25-18-10-7-14(20)11-16(18)21/h5-12,17H,3-4H2,1-2H3,(H,23,24)
InChIKeySQSXXRYHMKMCHG-UHFFFAOYSA-N
XLogP5.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide (CID 71229553) is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide is CCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide?
The InChIKey is SQSXXRYHMKMCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO2/c1-3-4-17(13-5-8-15(22)9-6-13)23-19(24)12(2)25-18-10-7-14(20)11-16(18)21/h5-12,17H,3-4H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide has a molecular weight of 384.28 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide is sourced from PubChem (CID 71229553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).