1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H19FN2O3 — CID 106319161

IUPAC1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CC(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H19FN2O3/c1-15(14(21)17-2)5-6-18(9-15)8-13(20)11-7-10(16)3-4-12(11)19/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,17,21)
InChIKeyUNCAFPJBASMZBK-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106319161) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106319161
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CC(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H19FN2O3/c1-15(14(21)17-2)5-6-18(9-15)8-13(20)11-7-10(16)3-4-12(11)19/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,17,21)
InChIKeyUNCAFPJBASMZBK-UHFFFAOYSA-N
XLogP1.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106319161) is 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(CC(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is UNCAFPJBASMZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(14(21)17-2)5-6-18(9-15)8-13(20)11-7-10(16)3-4-12(11)19/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,17,21).
What are the key properties of 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106319161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).