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

C24H24ClN3O3 — CID 22780800

IUPAC5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-2-23(29)28-14-12-27(13-15-28)20-9-4-3-8-19(20)26-24(30)22-11-10-21(31-22)17-6-5-7-18(25)16-17/h3-11,16H,2,12-15H2,1H3,(H,26,30)
InChIKeyNHIYXMKJBRZEFB-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.91
Rot. Bonds5

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

5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 22780800) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID22780800
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-2-23(29)28-14-12-27(13-15-28)20-9-4-3-8-19(20)26-24(30)22-11-10-21(31-22)17-6-5-7-18(25)16-17/h3-11,16H,2,12-15H2,1H3,(H,26,30)
InChIKeyNHIYXMKJBRZEFB-UHFFFAOYSA-N
XLogP4.91
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17091564
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117990
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17317476
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17117969
5-(2-nitrophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 17111769
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 3989552
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 17091566
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 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 22780800) is 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide is CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is NHIYXMKJBRZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-2-23(29)28-14-12-27(13-15-28)20-9-4-3-8-19(20)26-24(30)22-11-10-21(31-22)17-6-5-7-18(25)16-17/h3-11,16H,2,12-15H2,1H3,(H,26,30).
What are the key properties of 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 22780800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).