2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide

C17H19FN4O3 — CID 128989105

IUPAC2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cccc(F)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C17H19FN4O3/c1-21-14(23)9-11(16(21)12-7-8-19-22(12)2)20-17(24)15-10(18)5-4-6-13(15)25-3/h4-8,11,16H,9H2,1-3H3,(H,20,24)/t11-,16-/m1/s1
InChIKeyLFMCDYLHXYGNPJ-BDJLRTHQSA-N
MW346.36 g/mol
LogP1.27
Rot. Bonds4

About 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide

2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 128989105) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID128989105
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cccc(F)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C17H19FN4O3/c1-21-14(23)9-11(16(21)12-7-8-19-22(12)2)20-17(24)15-10(18)5-4-6-13(15)25-3/h4-8,11,16H,9H2,1-3H3,(H,20,24)/t11-,16-/m1/s1
InChIKeyLFMCDYLHXYGNPJ-BDJLRTHQSA-N
XLogP1.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide (CID 128989105) is 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide is COc1cccc(F)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C.
What is the InChIKey of 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is LFMCDYLHXYGNPJ-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-21-14(23)9-11(16(21)12-7-8-19-22(12)2)20-17(24)15-10(18)5-4-6-13(15)25-3/h4-8,11,16H,9H2,1-3H3,(H,20,24)/t11-,16-/m1/s1.
What are the key properties of 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide?
2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 346.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 128989105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).