N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide

C13H14N2O2 — CID 67018181

IUPACN-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESO=C(NC[C@@H]1CCN1)c1cccc2occc12
InChIInChI=1S/C13H14N2O2/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)/t9-/m0/s1
InChIKeyBHFFTUFDQNWDRD-VIFPVBQESA-N
MW230.27 g/mol
LogP1.52
Rot. Bonds3

About N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide

N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide (PubChem CID 67018181) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
PubChem CID67018181
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESO=C(NC[C@@H]1CCN1)c1cccc2occc12
InChIInChI=1S/C13H14N2O2/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)/t9-/m0/s1
InChIKeyBHFFTUFDQNWDRD-VIFPVBQESA-N
XLogP1.52
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
CID 67018178
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
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
N-[[2-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methyl]-1-benzofuran-4-carboxamide
CID 123231274

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide (CID 67018181) is N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide is O=C(NC[C@@H]1CCN1)c1cccc2occc12.
What is the InChIKey of N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The InChIKey is BHFFTUFDQNWDRD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O2/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)/t9-/m0/s1.
What are the key properties of N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 67018181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).