3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide

C17H18N2O3 — CID 90841268

IUPAC3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
SMILESCC(=O)c1coc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12
InChIInChI=1S/C17H18N2O3/c1-9(20)13-8-22-16-5-2-10(6-12(13)16)17(21)19-15-7-11-3-4-14(15)18-11/h2,5-6,8,11,14-15,18H,3-4,7H2,1H3,(H,19,21)/t11-,14+,15-/m1/s1
InChIKeyYEYXQRLKMAGFSP-BYCMXARLSA-N
MW298.34 g/mol
LogP2.26
Rot. Bonds3

About 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide

3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide (PubChem CID 90841268) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
PubChem CID90841268
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
SMILESCC(=O)c1coc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12
InChIInChI=1S/C17H18N2O3/c1-9(20)13-8-22-16-5-2-10(6-12(13)16)17(21)19-15-7-11-3-4-14(15)18-11/h2,5-6,8,11,14-15,18H,3-4,7H2,1H3,(H,19,21)/t11-,14+,15-/m1/s1
InChIKeyYEYXQRLKMAGFSP-BYCMXARLSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide with MolForge

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Related Compounds

propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate
CID 91012469
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)-1-benzofuran-5-carboxamide
CID 91222901
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-iodo-1-benzofuran-5-carboxamide
CID 90847887
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylsulfanyl-1-benzofuran-5-carboxamide
CID 91159442
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-piperidin-1-yl-1-benzofuran-5-carboxamide
CID 91253874
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-sulfanyl-1-benzofuran-5-carboxamide
CID 91358573
2-[acetyl(methyl)amino]-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
CID 91459944
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-2H-indazole-5-carboxamide
CID 10084500
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-pyrrolidin-1-yl-1-benzofuran-5-carboxamide
CID 69362588
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
CID 22243407
4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85330831

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide?
The IUPAC name of 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide (CID 90841268) is 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide is CC(=O)c1coc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12.
What is the InChIKey of 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide?
The InChIKey is YEYXQRLKMAGFSP-BYCMXARLSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-9(20)13-8-22-16-5-2-10(6-12(13)16)17(21)19-15-7-11-3-4-14(15)18-11/h2,5-6,8,11,14-15,18H,3-4,7H2,1H3,(H,19,21)/t11-,14+,15-/m1/s1.
What are the key properties of 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide?
3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 90841268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).