3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one

C18H19FN2O3 — CID 170367470

IUPAC3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
SMILESCOc1cc(C)c([C@H]2CC(=O)N(c3cccn(C)c3=O)C2)c(F)c1
InChIInChI=1S/C18H19FN2O3/c1-11-7-13(24-3)9-14(19)17(11)12-8-16(22)21(10-12)15-5-4-6-20(2)18(15)23/h4-7,9,12H,8,10H2,1-3H3/t12-/m0/s1
InChIKeyQMBRFWADSHFHRT-LBPRGKRZSA-N
MW330.36 g/mol
LogP2.36
Rot. Bonds3

About 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one

3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one (PubChem CID 170367470) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
PubChem CID170367470
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
SMILESCOc1cc(C)c([C@H]2CC(=O)N(c3cccn(C)c3=O)C2)c(F)c1
InChIInChI=1S/C18H19FN2O3/c1-11-7-13(24-3)9-14(19)17(11)12-8-16(22)21(10-12)15-5-4-6-20(2)18(15)23/h4-7,9,12H,8,10H2,1-3H3/t12-/m0/s1
InChIKeyQMBRFWADSHFHRT-LBPRGKRZSA-N
XLogP2.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367683
3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 170366587
3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
CID 170366841
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethanimidoyl-2-imino-3-pyridinyl)pyrrolidin-2-one
CID 162437881
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide
CID 162437923
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-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2,3-dihydroxypropyl)pyridin-2-one;fluoromethanol;4-fluoro-N-methylbenzamide
CID 162437890
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(1-oxothian-4-yl)pyridin-2-one
CID 162437746
3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 170369474
(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 170370379
3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one
CID 170264622

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one (CID 170367470) is 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one is COc1cc(C)c([C@H]2CC(=O)N(c3cccn(C)c3=O)C2)c(F)c1.
What is the InChIKey of 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one?
The InChIKey is QMBRFWADSHFHRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-7-13(24-3)9-14(19)17(11)12-8-16(22)21(10-12)15-5-4-6-20(2)18(15)23/h4-7,9,12H,8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one?
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 170367470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).