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

C25H24Cl2FN3O3 — CID 17091566

IUPACN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)CC1
InChIInChI=1S/C25H24Cl2FN3O3/c1-2-3-24(32)31-12-10-30(11-13-31)21-7-5-17(26)15-20(21)29-25(33)23-9-8-22(34-23)16-4-6-19(28)18(27)14-16/h4-9,14-15H,2-3,10-13H2,1H3,(H,29,33)
InChIKeyLIZZVRRKFDSOLY-UHFFFAOYSA-N
MW504.39 g/mol
LogP6.09
Rot. Bonds6

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

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide (PubChem CID 17091566) has the molecular formula C25H24Cl2FN3O3 and a molecular weight of 504.39 g/mol. Its IUPAC name is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
PubChem CID17091566
Molecular FormulaC25H24Cl2FN3O3
Molecular Weight504.39 g/mol
Exact Mass503.12
IUPAC NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)CC1
InChIInChI=1S/C25H24Cl2FN3O3/c1-2-3-24(32)31-12-10-30(11-13-31)21-7-5-17(26)15-20(21)29-25(33)23-9-8-22(34-23)16-4-6-19(28)18(27)14-16/h4-9,14-15H,2-3,10-13H2,1H3,(H,29,33)
InChIKeyLIZZVRRKFDSOLY-UHFFFAOYSA-N
XLogP6.09
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.39
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17091564
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117990
5-(3-chloro-4-methylphenyl)-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 5233730
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
methyl 4-(4-benzoylpiperazin-1-yl)-3-[[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]amino]benzoate
CID 17092162
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
5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22780800
5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 4965545
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]propanamide
CID 17091961
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 17092277

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide (CID 17091566) is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide is CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)CC1.
What is the InChIKey of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide?
The InChIKey is LIZZVRRKFDSOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN3O3/c1-2-3-24(32)31-12-10-30(11-13-31)21-7-5-17(26)15-20(21)29-25(33)23-9-8-22(34-23)16-4-6-19(28)18(27)14-16/h4-9,14-15H,2-3,10-13H2,1H3,(H,29,33).
What are the key properties of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide?
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide has a molecular weight of 504.39 g/mol, XLogP of 6.09, 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-chloro-4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17091566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).