1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one

C19H16INO2 — CID 22050830

IUPAC1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one
SMILESO=c1c(I)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C19H16INO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyNEZIZFKTRZDBMW-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.08
Rot. Bonds5

About 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one

1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one (PubChem CID 22050830) has the molecular formula C19H16INO2 and a molecular weight of 417.25 g/mol. Its IUPAC name is 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one
PubChem CID22050830
Molecular FormulaC19H16INO2
Molecular Weight417.25 g/mol
Exact Mass417.02
IUPAC Name1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one
SMILESO=c1c(I)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C19H16INO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyNEZIZFKTRZDBMW-UHFFFAOYSA-N
XLogP4.08
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one (CID 22050830) is 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one is O=c1c(I)c(OCc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one?
The InChIKey is NEZIZFKTRZDBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16INO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2.
What are the key properties of 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one?
1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one has a molecular weight of 417.25 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-iodo-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 22050830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).