5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

C24H27ClN2O2 — CID 72713396

IUPAC5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C24H27ClN2O2/c1-2-20-21-16-18(25)8-11-22(21)29-23(20)24(28)26-13-12-17-6-9-19(10-7-17)27-14-4-3-5-15-27/h6-11,16H,2-5,12-15H2,1H3,(H,26,28)
InChIKeyVWIURPAVBBZINX-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.61
Rot. Bonds6

About 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 72713396) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID72713396
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C24H27ClN2O2/c1-2-20-21-16-18(25)8-11-22(21)29-23(20)24(28)26-13-12-17-6-9-19(10-7-17)27-14-4-3-5-15-27/h6-11,16H,2-5,12-15H2,1H3,(H,26,28)
InChIKeyVWIURPAVBBZINX-UHFFFAOYSA-N
XLogP5.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
(2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648344
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 9980998
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
(S)-2-{4''-[(5-Chloro-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
CID 11421151
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
CID 42625290

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 72713396) is 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is VWIURPAVBBZINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-2-20-21-16-18(25)8-11-22(21)29-23(20)24(28)26-13-12-17-6-9-19(10-7-17)27-14-4-3-5-15-27/h6-11,16H,2-5,12-15H2,1H3,(H,26,28).
What are the key properties of 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 72713396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).