4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride

C18H22ClFN2O2 — CID 146052595

IUPAC4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2ccc(F)cc2)N2CCCC2)o1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-13-4-9-17(23-13)16(21-10-2-3-11-21)12-20-18(22)14-5-7-15(19)8-6-14;/h4-9,16H,2-3,10-12H2,1H3,(H,20,22);1H
InChIKeyOSUIBKJCCLZXOT-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.72
Rot. Bonds5

About 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride

4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (PubChem CID 146052595) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
PubChem CID146052595
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2ccc(F)cc2)N2CCCC2)o1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-13-4-9-17(23-13)16(21-10-2-3-11-21)12-20-18(22)14-5-7-15(19)8-6-14;/h4-9,16H,2-3,10-12H2,1H3,(H,20,22);1H
InChIKeyOSUIBKJCCLZXOT-UHFFFAOYSA-N
XLogP3.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 35674097
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592
4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052593
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
6-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 95283314
5-fluoro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052704
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124860900

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (CID 146052595) is 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is Cc1ccc(C(CNC(=O)c2ccc(F)cc2)N2CCCC2)o1.Cl.
What is the InChIKey of 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The InChIKey is OSUIBKJCCLZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-13-4-9-17(23-13)16(21-10-2-3-11-21)12-20-18(22)14-5-7-15(19)8-6-14;/h4-9,16H,2-3,10-12H2,1H3,(H,20,22);1H.
What are the key properties of 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is sourced from PubChem (CID 146052595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).