3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one

C20H24ClNO3 — CID 118945280

IUPAC3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
SMILESO=c1c(CCc2ccc(Cl)cc2)cccn1CCOC1CCCCO1
InChIInChI=1S/C20H24ClNO3/c21-18-10-7-16(8-11-18)6-9-17-4-3-12-22(20(17)23)13-15-25-19-5-1-2-14-24-19/h3-4,7-8,10-12,19H,1-2,5-6,9,13-15H2
InChIKeyBLFXVAFDRVWEJY-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.83
Rot. Bonds7

About 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one

3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one (PubChem CID 118945280) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
PubChem CID118945280
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
SMILESO=c1c(CCc2ccc(Cl)cc2)cccn1CCOC1CCCCO1
InChIInChI=1S/C20H24ClNO3/c21-18-10-7-16(8-11-18)6-9-17-4-3-12-22(20(17)23)13-15-25-19-5-1-2-14-24-19/h3-4,7-8,10-12,19H,1-2,5-6,9,13-15H2
InChIKeyBLFXVAFDRVWEJY-UHFFFAOYSA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one (CID 118945280) is 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one is O=c1c(CCc2ccc(Cl)cc2)cccn1CCOC1CCCCO1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
The InChIKey is BLFXVAFDRVWEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c21-18-10-7-16(8-11-18)6-9-17-4-3-12-22(20(17)23)13-15-25-19-5-1-2-14-24-19/h3-4,7-8,10-12,19H,1-2,5-6,9,13-15H2.
What are the key properties of 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one has a molecular weight of 361.87 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one is sourced from PubChem (CID 118945280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).