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

C20H22Cl2FNO2 — CID 71229554

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide
SMILESCCCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C20H22Cl2FNO2/c1-3-4-5-18(14-6-9-16(23)10-7-14)24-20(25)13(2)26-19-11-8-15(21)12-17(19)22/h6-13,18H,3-5H2,1-2H3,(H,24,25)
InChIKeyQOILKLFIHBNEHQ-UHFFFAOYSA-N
MW398.31 g/mol
LogP5.95
Rot. Bonds8

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

2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide (PubChem CID 71229554) has the molecular formula C20H22Cl2FNO2 and a molecular weight of 398.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide
PubChem CID71229554
Molecular FormulaC20H22Cl2FNO2
Molecular Weight398.31 g/mol
Exact Mass397.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide
SMILESCCCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C20H22Cl2FNO2/c1-3-4-5-18(14-6-9-16(23)10-7-14)24-20(25)13(2)26-19-11-8-15(21)12-17(19)22/h6-13,18H,3-5H2,1-2H3,(H,24,25)
InChIKeyQOILKLFIHBNEHQ-UHFFFAOYSA-N
XLogP5.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.31
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide (CID 71229554) is 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide is CCCCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide?
The InChIKey is QOILKLFIHBNEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2FNO2/c1-3-4-5-18(14-6-9-16(23)10-7-14)24-20(25)13(2)26-19-11-8-15(21)12-17(19)22/h6-13,18H,3-5H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide has a molecular weight of 398.31 g/mol, XLogP of 5.95, 8 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)pentyl]propanamide is sourced from PubChem (CID 71229554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).