1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one

C15H16F2INO2 — CID 153451934

IUPAC1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(I)C(=O)N2CC(F)F)cc1
InChIInChI=1S/C15H16F2INO2/c1-2-21-11-5-3-10(4-6-11)13-8-7-12(18)15(20)19(13)9-14(16)17/h3-6,8,12,14H,2,7,9H2,1H3
InChIKeyGQDYAAZQSMKUQC-UHFFFAOYSA-N
MW407.20 g/mol
LogP3.73
Rot. Bonds5

About 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one

1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one (PubChem CID 153451934) has the molecular formula C15H16F2INO2 and a molecular weight of 407.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
PubChem CID153451934
Molecular FormulaC15H16F2INO2
Molecular Weight407.20 g/mol
Exact Mass407.02
IUPAC Name1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(I)C(=O)N2CC(F)F)cc1
InChIInChI=1S/C15H16F2INO2/c1-2-21-11-5-3-10(4-6-11)13-8-7-12(18)15(20)19(13)9-14(16)17/h3-6,8,12,14H,2,7,9H2,1H3
InChIKeyGQDYAAZQSMKUQC-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one (CID 153451934) is 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one is CCOc1ccc(C2=CCC(I)C(=O)N2CC(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
The InChIKey is GQDYAAZQSMKUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2INO2/c1-2-21-11-5-3-10(4-6-11)13-8-7-12(18)15(20)19(13)9-14(16)17/h3-6,8,12,14H,2,7,9H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one has a molecular weight of 407.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).