2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide

C20H17FN2O3 — CID 20926229

IUPAC2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCC2)oc2ccccc12)c1ccccc1F
InChIInChI=1S/C20H17FN2O3/c21-15-9-3-1-7-13(15)19(24)22-17-14-8-2-4-10-16(14)26-18(17)20(25)23-11-5-6-12-23/h1-4,7-10H,5-6,11-12H2,(H,22,24)
InChIKeyDJSVFXWWQOLYIJ-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.06
Rot. Bonds3

About 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide

2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20926229) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20926229
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCC2)oc2ccccc12)c1ccccc1F
InChIInChI=1S/C20H17FN2O3/c21-15-9-3-1-7-13(15)19(24)22-17-14-8-2-4-10-16(14)26-18(17)20(25)23-11-5-6-12-23/h1-4,7-10H,5-6,11-12H2,(H,22,24)
InChIKeyDJSVFXWWQOLYIJ-UHFFFAOYSA-N
XLogP4.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide
CID 20925789
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925978
2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925967
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925872
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20926229) is 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide is O=C(Nc1c(C(=O)N2CCCC2)oc2ccccc12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is DJSVFXWWQOLYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-15-9-3-1-7-13(15)19(24)22-17-14-8-2-4-10-16(14)26-18(17)20(25)23-11-5-6-12-23/h1-4,7-10H,5-6,11-12H2,(H,22,24).
What are the key properties of 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 352.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20926229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).