5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide

C14H15ClN2O2 — CID 9272241

IUPAC5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H15ClN2O2/c15-11-4-5-12-10(8-11)9-13(19-12)14(18)16-17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2,(H,16,18)
InChIKeyQXYXLMVFXRBNSR-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.22
Rot. Bonds2

About 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide

5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide (PubChem CID 9272241) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
PubChem CID9272241
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H15ClN2O2/c15-11-4-5-12-10(8-11)9-13(19-12)14(18)16-17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2,(H,16,18)
InChIKeyQXYXLMVFXRBNSR-UHFFFAOYSA-N
XLogP3.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
N-[(E)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126028715
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 123198555
5-chloro-N-[4-[(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfane
CID 163457714
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
CID 111464277

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide (CID 9272241) is 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide is O=C(NN1CCCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide?
The InChIKey is QXYXLMVFXRBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-4-5-12-10(8-11)9-13(19-12)14(18)16-17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2,(H,16,18).
What are the key properties of 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide?
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9272241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).