N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride

C13H15ClN2O2 — CID 67018178

IUPACN-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN1)c1cccc2occc12
InChIInChI=1S/C13H14N2O2.ClH/c16-13(15-8-9-4-6-14-9)11-2-1-3-12-10(11)5-7-17-12;/h1-3,5,7,9,14H,4,6,8H2,(H,15,16);1H
InChIKeyKMBYWNADENNJCT-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.95
Rot. Bonds3

About N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride

N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride (PubChem CID 67018178) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
PubChem CID67018178
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN1)c1cccc2occc12
InChIInChI=1S/C13H14N2O2.ClH/c16-13(15-8-9-4-6-14-9)11-2-1-3-12-10(11)5-7-17-12;/h1-3,5,7,9,14H,4,6,8H2,(H,15,16);1H
InChIKeyKMBYWNADENNJCT-UHFFFAOYSA-N
XLogP1.95
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018181
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609
N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68725879
N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide
CID 71223636
N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018299
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
1-benzofuran-4-carbonyl chloride
CID 23450130
N-[(4S)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
CID 173106870
N-[[1-(6-phenylcyclohexa-1,5-dien-1-yl)sulfonylpiperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 145079149
N-[(2S)-2-(benzylamino)-3-methylbutyl]-1-benzofuran-4-carboxamide
CID 68742546
N-[2-(1-benzofuran-4-carbonylamino)ethyl]-N-cyclopropyl-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 67448612

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride?
The IUPAC name of N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride (CID 67018178) is N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride?
The canonical SMILES for N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCN1)c1cccc2occc12.
What is the InChIKey of N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride?
The InChIKey is KMBYWNADENNJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.ClH/c16-13(15-8-9-4-6-14-9)11-2-1-3-12-10(11)5-7-17-12;/h1-3,5,7,9,14H,4,6,8H2,(H,15,16);1H.
What are the key properties of N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride?
N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride is sourced from PubChem (CID 67018178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).