5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide

C24H23ClN2O3 — CID 4965545

IUPAC5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)o2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-16(28)17-5-7-18(8-6-17)22-11-12-23(30-22)24(29)26-20-15-19(25)9-10-21(20)27-13-3-2-4-14-27/h5-12,15H,2-4,13-14H2,1H3,(H,26,29)
InChIKeyXNLVBLVMAJFIHQ-UHFFFAOYSA-N
MW422.91 g/mol
LogP6.05
Rot. Bonds5

About 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 4965545) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
PubChem CID4965545
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)o2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-16(28)17-5-7-18(8-6-17)22-11-12-23(30-22)24(29)26-20-15-19(25)9-10-21(20)27-13-3-2-4-14-27/h5-12,15H,2-4,13-14H2,1H3,(H,26,29)
InChIKeyXNLVBLVMAJFIHQ-UHFFFAOYSA-N
XLogP6.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
5-(4-chlorophenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 17354423
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 17091566
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17091564
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 7922537
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 5144971
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 3946424

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide (CID 4965545) is 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is XNLVBLVMAJFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-16(28)17-5-7-18(8-6-17)22-11-12-23(30-22)24(29)26-20-15-19(25)9-10-21(20)27-13-3-2-4-14-27/h5-12,15H,2-4,13-14H2,1H3,(H,26,29).
What are the key properties of 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 422.91 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 4965545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).