N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide

C25H25Cl2N3O3 — CID 17091564

IUPACN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C25H25Cl2N3O3/c1-2-4-24(31)30-13-11-29(12-14-30)21-8-7-19(27)16-20(21)28-25(32)23-10-9-22(33-23)17-5-3-6-18(26)15-17/h3,5-10,15-16H,2,4,11-14H2,1H3,(H,28,32)
InChIKeyYOCWRSAHYKQEKX-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.95
Rot. Bonds6

About N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide (PubChem CID 17091564) has the molecular formula C25H25Cl2N3O3 and a molecular weight of 486.40 g/mol. Its IUPAC name is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
PubChem CID17091564
Molecular FormulaC25H25Cl2N3O3
Molecular Weight486.40 g/mol
Exact Mass485.13
IUPAC NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C25H25Cl2N3O3/c1-2-4-24(31)30-13-11-29(12-14-30)21-8-7-19(27)16-20(21)28-25(32)23-10-9-22(33-23)17-5-3-6-18(26)15-17/h3,5-10,15-16H,2,4,11-14H2,1H3,(H,28,32)
InChIKeyYOCWRSAHYKQEKX-UHFFFAOYSA-N
XLogP5.95
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117990
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 17091566
5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22780800
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
CID 17091526
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 17091567
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17091568
(E)-N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17091553
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-3-chlorobenzamide
CID 17091928
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
5-(3-chloro-4-methylphenyl)-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 5233730

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide (CID 17091564) is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide is CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1.
What is the InChIKey of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The InChIKey is YOCWRSAHYKQEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3/c1-2-4-24(31)30-13-11-29(12-14-30)21-8-7-19(27)16-20(21)28-25(32)23-10-9-22(33-23)17-5-3-6-18(26)15-17/h3,5-10,15-16H,2,4,11-14H2,1H3,(H,28,32).
What are the key properties of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide has a molecular weight of 486.40 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17091564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).