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

C17H21ClN2O2 — CID 52985069

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCl.O=C(NCC(c1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C17H20N2O2.ClH/c20-17(14-7-2-1-3-8-14)18-13-15(16-9-6-12-21-16)19-10-4-5-11-19;/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,18,20);1H
InChIKeyNNKKJLCQOHJKDZ-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.27
Rot. Bonds5

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

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (PubChem CID 52985069) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
PubChem CID52985069
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCl.O=C(NCC(c1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C17H20N2O2.ClH/c20-17(14-7-2-1-3-8-14)18-13-15(16-9-6-12-21-16)19-10-4-5-11-19;/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,18,20);1H
InChIKeyNNKKJLCQOHJKDZ-UHFFFAOYSA-N
XLogP3.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522317
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 4841525
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (CID 52985069) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is Cl.O=C(NCC(c1ccco1)N1CCCC1)c1ccccc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The InChIKey is NNKKJLCQOHJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c20-17(14-7-2-1-3-8-14)18-13-15(16-9-6-12-21-16)19-10-4-5-11-19;/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,18,20);1H.
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is sourced from PubChem (CID 52985069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).