(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one

C17H17F2N2O2P — CID 170367085

IUPAC(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3nc(C)ccc3F)C2)c(P)c1
InChIInChI=1S/C17H17F2N2O2P/c1-9-3-4-12(18)17(20-9)21-8-10(5-15(21)22)16-13(19)6-11(23-2)7-14(16)24/h3-4,6-7,10H,5,8,24H2,1-2H3/t10-/m0/s1
InChIKeyAJNANQIARDWZAZ-JTQLQIEISA-N
MW350.31 g/mol
LogP2.70
Rot. Bonds3

About (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one

(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 170367085) has the molecular formula C17H17F2N2O2P and a molecular weight of 350.31 g/mol. Its IUPAC name is (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID170367085
Molecular FormulaC17H17F2N2O2P
Molecular Weight350.31 g/mol
Exact Mass350.10
IUPAC Name(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(c3nc(C)ccc3F)C2)c(P)c1
InChIInChI=1S/C17H17F2N2O2P/c1-9-3-4-12(18)17(20-9)21-8-10(5-15(21)22)16-13(19)6-11(23-2)7-14(16)24/h3-4,6-7,10H,5,8,24H2,1-2H3/t10-/m0/s1
InChIKeyAJNANQIARDWZAZ-JTQLQIEISA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one with MolForge

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Related Compounds

3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
CID 170366841
(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 170370379
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
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]-4-methyl-1-(1-oxothian-4-yl)pyridin-2-one
CID 162437746
4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 91906768
3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 170369474
4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethanimidoyl-2-imino-3-pyridinyl)pyrrolidin-2-one
CID 162437881
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823
(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one
CID 142493849
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 170366587

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one (CID 170367085) is (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one is COc1cc(F)c([C@H]2CC(=O)N(c3nc(C)ccc3F)C2)c(P)c1.
What is the InChIKey of (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is AJNANQIARDWZAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17F2N2O2P/c1-9-3-4-12(18)17(20-9)21-8-10(5-15(21)22)16-13(19)6-11(23-2)7-14(16)24/h3-4,6-7,10H,5,8,24H2,1-2H3/t10-/m0/s1.
What are the key properties of (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one?
(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 350.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 170367085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).