5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide

C19H21FN2O4 — CID 126622195

IUPAC5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c(OC)cc12
InChIInChI=1S/C19H21FN2O4/c1-3-11-14(22-19(24)17(11)20)9-26-15-6-4-5-10-7-13(18(21)23)16(25-2)8-12(10)15/h4-8,11,14,17H,3,9H2,1-2H3,(H2,21,23)(H,22,24)/t11-,14+,17-/m0/s1
InChIKeyHVYXXOWVKHZMEJ-KHIZAZIESA-N
MW360.39 g/mol
LogP2.19
Rot. Bonds6

About 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide

5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide (PubChem CID 126622195) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide
PubChem CID126622195
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c(OC)cc12
InChIInChI=1S/C19H21FN2O4/c1-3-11-14(22-19(24)17(11)20)9-26-15-6-4-5-10-7-13(18(21)23)16(25-2)8-12(10)15/h4-8,11,14,17H,3,9H2,1-2H3,(H2,21,23)(H,22,24)/t11-,14+,17-/m0/s1
InChIKeyHVYXXOWVKHZMEJ-KHIZAZIESA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide (CID 126622195) is 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c(OC)cc12.
What is the InChIKey of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is HVYXXOWVKHZMEJ-KHIZAZIESA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-3-11-14(22-19(24)17(11)20)9-26-15-6-4-5-10-7-13(18(21)23)16(25-2)8-12(10)15/h4-8,11,14,17H,3,9H2,1-2H3,(H2,21,23)(H,22,24)/t11-,14+,17-/m0/s1.
What are the key properties of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide?
5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 126622195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).