3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one

C18H20FN2O3P — CID 170366841

IUPAC3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3c(C)ccn(C)c3=O)C2)c(P)c1
InChIInChI=1S/C18H20FN2O3P/c1-10-4-5-20(2)18(23)17(10)21-9-11(6-15(21)22)16-13(19)7-12(24-3)8-14(16)25/h4-5,7-8,11H,6,9,25H2,1-3H3/t11-/m0/s1
InChIKeyNQSDSSSCSAANDV-NSHDSACASA-N
MW362.34 g/mol
LogP1.86
Rot. Bonds3

About 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one

3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one (PubChem CID 170366841) has the molecular formula C18H20FN2O3P and a molecular weight of 362.34 g/mol. Its IUPAC name is 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
PubChem CID170366841
Molecular FormulaC18H20FN2O3P
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3c(C)ccn(C)c3=O)C2)c(P)c1
InChIInChI=1S/C18H20FN2O3P/c1-10-4-5-20(2)18(23)17(10)21-9-11(6-15(21)22)16-13(19)7-12(24-3)8-14(16)25/h4-5,7-8,11H,6,9,25H2,1-3H3/t11-/m0/s1
InChIKeyNQSDSSSCSAANDV-NSHDSACASA-N
XLogP1.86
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one with MolForge

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Related Compounds

3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 170367085
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
6-ethyl-3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367683
1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
CID 170370781
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxetan-2-ylmethyl)pyridin-2-one;fluoromethanol;1-fluoro-4-methylbenzene;N-methylformamide
CID 162437252
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide
CID 162437472
4-(difluoromethoxy)-N-methylbenzamide;3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-hydroxypropyl)-4-methylpyridin-2-one
CID 162437914
1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
CID 162437725
(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 170370379
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one?
The IUPAC name of 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one (CID 170366841) is 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one?
The canonical SMILES for 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one is COc1cc(F)c([C@H]2CC(=O)N(c3c(C)ccn(C)c3=O)C2)c(P)c1.
What is the InChIKey of 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one?
The InChIKey is NQSDSSSCSAANDV-NSHDSACASA-N. The full InChI is InChI=1S/C18H20FN2O3P/c1-10-4-5-20(2)18(23)17(10)21-9-11(6-15(21)22)16-13(19)7-12(24-3)8-14(16)25/h4-5,7-8,11H,6,9,25H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one?
3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one has a molecular weight of 362.34 g/mol, XLogP of 1.86, 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-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 170366841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).