3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one

C19H20FIN2O4 — CID 170366587

IUPAC3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(N2C[C@@H](c3c(F)cc(OC)cc3I)CC2=O)c1=O
InChIInChI=1S/C19H20FIN2O4/c1-26-7-6-22-5-3-4-16(19(22)25)23-11-12(8-17(23)24)18-14(20)9-13(27-2)10-15(18)21/h3-5,9-10,12H,6-8,11H2,1-2H3/t12-/m0/s1
InChIKeyWHEDVMWERJIVRM-LBPRGKRZSA-N
MW486.28 g/mol
LogP2.77
Rot. Bonds6

About 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one

3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 170366587) has the molecular formula C19H20FIN2O4 and a molecular weight of 486.28 g/mol. Its IUPAC name is 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID170366587
Molecular FormulaC19H20FIN2O4
Molecular Weight486.28 g/mol
Exact Mass486.05
IUPAC Name3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(N2C[C@@H](c3c(F)cc(OC)cc3I)CC2=O)c1=O
InChIInChI=1S/C19H20FIN2O4/c1-26-7-6-22-5-3-4-16(19(22)25)23-11-12(8-17(23)24)18-14(20)9-13(27-2)10-15(18)21/h3-5,9-10,12H,6-8,11H2,1-2H3/t12-/m0/s1
InChIKeyWHEDVMWERJIVRM-LBPRGKRZSA-N
XLogP2.77
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-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

Related Compounds

3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide
CID 162437923
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2,3-dihydroxypropyl)pyridin-2-one;fluoromethanol;4-fluoro-N-methylbenzamide
CID 162437890
6-ethyl-3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367683
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-[3-methoxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]pyridin-2-one
CID 162437418
3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one
CID 170264622
3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one
CID 170366975
4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethanimidoyl-2-imino-3-pyridinyl)pyrrolidin-2-one
CID 162437881
4-chloro-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 169319443
3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one
CID 162437576
3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
CID 170366841

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one (CID 170366587) is 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cccc(N2C[C@@H](c3c(F)cc(OC)cc3I)CC2=O)c1=O.
What is the InChIKey of 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is WHEDVMWERJIVRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20FIN2O4/c1-26-7-6-22-5-3-4-16(19(22)25)23-11-12(8-17(23)24)18-14(20)9-13(27-2)10-15(18)21/h3-5,9-10,12H,6-8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 486.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 170366587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).