1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one

C17H18Cl2FNO2 — CID 67306930

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one
SMILESO=c1cc(OCCCCCF)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2FNO2/c18-14-5-4-13(16(19)10-14)12-21-8-6-15(11-17(21)22)23-9-3-1-2-7-20/h4-6,8,10-11H,1-3,7,9,12H2
InChIKeyNIAIKIDCVVIMBZ-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.72
Rot. Bonds8

About 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one

1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one (PubChem CID 67306930) has the molecular formula C17H18Cl2FNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one
PubChem CID67306930
Molecular FormulaC17H18Cl2FNO2
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one
SMILESO=c1cc(OCCCCCF)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2FNO2/c18-14-5-4-13(16(19)10-14)12-21-8-6-15(11-17(21)22)23-9-3-1-2-7-20/h4-6,8,10-11H,1-3,7,9,12H2
InChIKeyNIAIKIDCVVIMBZ-UHFFFAOYSA-N
XLogP4.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one (CID 67306930) is 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one is O=c1cc(OCCCCCF)ccn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one?
The InChIKey is NIAIKIDCVVIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FNO2/c18-14-5-4-13(16(19)10-14)12-21-8-6-15(11-17(21)22)23-9-3-1-2-7-20/h4-6,8,10-11H,1-3,7,9,12H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one?
1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one has a molecular weight of 358.24 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-(5-fluoropentoxy)pyridin-2-one is sourced from PubChem (CID 67306930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).