(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C15H19ClN2O2 — CID 119272386

IUPAC(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1cc2ccccc2o1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10(17-15(18)12-6-4-8-16-12)14-9-11-5-2-3-7-13(11)19-14;/h2-3,5,7,9-10,12,16H,4,6,8H2,1H3,(H,17,18);1H/t10?,12-;/m0./s1
InChIKeyZYGFZGNCSLDKEW-RLVDVTLISA-N
MW294.78 g/mol
LogP2.78
Rot. Bonds3

About (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119272386) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119272386
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1cc2ccccc2o1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10(17-15(18)12-6-4-8-16-12)14-9-11-5-2-3-7-13(11)19-14;/h2-3,5,7,9-10,12,16H,4,6,8H2,1H3,(H,17,18);1H/t10?,12-;/m0./s1
InChIKeyZYGFZGNCSLDKEW-RLVDVTLISA-N
XLogP2.78
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119691689
N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423092
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119272386) is (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is CC(NC(=O)[C@@H]1CCCN1)c1cc2ccccc2o1.Cl.
What is the InChIKey of (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZYGFZGNCSLDKEW-RLVDVTLISA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-10(17-15(18)12-6-4-8-16-12)14-9-11-5-2-3-7-13(11)19-14;/h2-3,5,7,9-10,12,16H,4,6,8H2,1H3,(H,17,18);1H/t10?,12-;/m0./s1.
What are the key properties of (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119272386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).