3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide

C22H21FN2O3 — CID 20926283

IUPAC3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H21FN2O3/c1-14-9-11-25(12-10-14)22(27)20-19(17-7-2-3-8-18(17)28-20)24-21(26)15-5-4-6-16(23)13-15/h2-8,13-14H,9-12H2,1H3,(H,24,26)
InChIKeyUFBLPJLEKDKXKG-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.70
Rot. Bonds3

About 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide

3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20926283) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20926283
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H21FN2O3/c1-14-9-11-25(12-10-14)22(27)20-19(17-7-2-3-8-18(17)28-20)24-21(26)15-5-4-6-16(23)13-15/h2-8,13-14H,9-12H2,1H3,(H,24,26)
InChIKeyUFBLPJLEKDKXKG-UHFFFAOYSA-N
XLogP4.70
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925795
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270057
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 30749808
5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
CID 46271206
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20926283) is 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide is CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is UFBLPJLEKDKXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-14-9-11-25(12-10-14)22(27)20-19(17-7-2-3-8-18(17)28-20)24-21(26)15-5-4-6-16(23)13-15/h2-8,13-14H,9-12H2,1H3,(H,24,26).
What are the key properties of 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20926283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).