1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one

C20H18ClNO3 — CID 52948081

IUPAC1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one
SMILESCOc1ccc(COc2ccn(Cc3ccccc3Cl)c(=O)c2)cc1
InChIInChI=1S/C20H18ClNO3/c1-24-17-8-6-15(7-9-17)14-25-18-10-11-22(20(23)12-18)13-16-4-2-3-5-19(16)21/h2-12H,13-14H2,1H3
InChIKeySYOUKVOBIPOTJI-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.14
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one

1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one (PubChem CID 52948081) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one
PubChem CID52948081
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one
SMILESCOc1ccc(COc2ccn(Cc3ccccc3Cl)c(=O)c2)cc1
InChIInChI=1S/C20H18ClNO3/c1-24-17-8-6-15(7-9-17)14-25-18-10-11-22(20(23)12-18)13-16-4-2-3-5-19(16)21/h2-12H,13-14H2,1H3
InChIKeySYOUKVOBIPOTJI-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzyloxy-1-(2-chlorobenzyl)-2-pyridinone
CID 16046253
US11440884, Example 63
CID 137520635
1-[(2-Chloro-6-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 16017650
1-[(3-Chlorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione
CID 16017654
1-(2-fluoro-4-chlorobenzyl)-5-(4-methoxyphenyl)pyridin-2(1H)-one
CID 11523023
3-(2-chlorobenzyl)-6-(4-ethoxyphenyl)pyrimidin-4(3H)-one
CID 30463268
1-[2-(2-Chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 50747071
1-[(2-Chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione
CID 22520241
(3E)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 155814576
3-Bromo-1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one
CID 11486898
4-Benzyloxy-1-(4-trifluoromethoxy-benzyl)-1H-pyridin-2-one
CID 22050640
1-[(4-Chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one
CID 58966899

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one (CID 52948081) is 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one is COc1ccc(COc2ccn(Cc3ccccc3Cl)c(=O)c2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
The InChIKey is SYOUKVOBIPOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-24-17-8-6-15(7-9-17)14-25-18-10-11-22(20(23)12-18)13-16-4-2-3-5-19(16)21/h2-12H,13-14H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one?
1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one has a molecular weight of 355.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 52948081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).