N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide

C20H19ClN2O2 — CID 7922537

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H19ClN2O2/c21-15-8-9-17(23-10-4-1-5-11-23)16(13-15)22-20(24)19-12-14-6-2-3-7-18(14)25-19/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,22,24)
InChIKeyJLQJPRPBNIRHHY-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.33
Rot. Bonds3

About N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 7922537) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID7922537
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H19ClN2O2/c21-15-8-9-17(23-10-4-1-5-11-23)16(13-15)22-20(24)19-12-14-6-2-3-7-18(14)25-19/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,22,24)
InChIKeyJLQJPRPBNIRHHY-UHFFFAOYSA-N
XLogP5.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2670112
N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 28692731
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 35355077
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 38910561
N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
CID 103891115
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 4965545
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide (CID 7922537) is N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is JLQJPRPBNIRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-15-8-9-17(23-10-4-1-5-11-23)16(13-15)22-20(24)19-12-14-6-2-3-7-18(14)25-19/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,22,24).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7922537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).