2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C17H19FN2O2 — CID 4883721

IUPAC2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccccc1F
InChIInChI=1S/C17H19FN2O2/c18-14-7-2-1-6-13(14)17(21)19-12-15(16-8-5-11-22-16)20-9-3-4-10-20/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,19,21)
InChIKeyFFDLDENDXXIEJA-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.99
Rot. Bonds5

About 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 4883721) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID4883721
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccccc1F
InChIInChI=1S/C17H19FN2O2/c18-14-7-2-1-6-13(14)17(21)19-12-15(16-8-5-11-22-16)20-9-3-4-10-20/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,19,21)
InChIKeyFFDLDENDXXIEJA-UHFFFAOYSA-N
XLogP2.99
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 4883721) is 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is O=C(NCC(c1ccco1)N1CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is FFDLDENDXXIEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-7-2-1-6-13(14)17(21)19-12-15(16-8-5-11-22-16)20-9-3-4-10-20/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,19,21).
What are the key properties of 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 302.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 4883721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).