5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide

C19H21FN2O4 — CID 134214166

IUPAC5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2c(OCC[C@@H]3C[C@](C)(F)C(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C19H21FN2O4/c1-19(20)10-12(22-18(19)24)6-7-26-15-5-3-4-11-8-14(17(21)23)16(25-2)9-13(11)15/h3-5,8-9,12H,6-7,10H2,1-2H3,(H2,21,23)(H,22,24)/t12-,19+/m1/s1
InChIKeyLVHBCYDBWLLLFG-BLVKFPJESA-N
MW360.39 g/mol
LogP2.33
Rot. Bonds6

About 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide

5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide (PubChem CID 134214166) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide
PubChem CID134214166
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2c(OCC[C@@H]3C[C@](C)(F)C(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C19H21FN2O4/c1-19(20)10-12(22-18(19)24)6-7-26-15-5-3-4-11-8-14(17(21)23)16(25-2)9-13(11)15/h3-5,8-9,12H,6-7,10H2,1-2H3,(H2,21,23)(H,22,24)/t12-,19+/m1/s1
InChIKeyLVHBCYDBWLLLFG-BLVKFPJESA-N
XLogP2.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2S,4R)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414670
(5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide
CID 158116727
1-[[(4S)-4-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972613
1-[2-[(1R,2R,5S)-5-fluoro-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134214227
1-[2-[(2S)-4-benzyl-5-oxopyrrolidin-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155351016
1-[2-[(2R,4S)-4-hydroxy-5-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214219
1-[2-[(2R,4S)-3-(fluoromethyl)-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 170055370
1-[2-[(2S)-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214180
1-[[(4R,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 126622186
1-[2-[6-(hydroxymethyl)-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134214185
1-[[(1S,2S,5R)-1-ethyl-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134490809
7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide
CID 138502245

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide (CID 134214166) is 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide is COc1cc2c(OCC[C@@H]3C[C@](C)(F)C(=O)N3)cccc2cc1C(N)=O.
What is the InChIKey of 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is LVHBCYDBWLLLFG-BLVKFPJESA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-19(20)10-12(22-18(19)24)6-7-26-15-5-3-4-11-8-14(17(21)23)16(25-2)9-13(11)15/h3-5,8-9,12H,6-7,10H2,1-2H3,(H2,21,23)(H,22,24)/t12-,19+/m1/s1.
What are the key properties of 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide?
5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 134214166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).