5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide

C23H24ClN3O2 — CID 70695898

IUPAC5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3
InChIKeyZQXYAXCRCBTDIH-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.68
Rot. Bonds5

About 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide

5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide (PubChem CID 70695898) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
PubChem CID70695898
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3
InChIKeyZQXYAXCRCBTDIH-UHFFFAOYSA-N
XLogP4.68
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 57401827
5-(4-cyanophenyl)-N-[[2-(2-fluorophenyl)phenyl]methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 57401828
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
5-(4-cyanophenyl)-N-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 57391323
5-(4-cyanophenyl)-N-(4-piperazin-1-ylphenyl)-N-[(2-pyridin-3-ylphenyl)methyl]furan-2-carboxamide
CID 57403552
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
methyl 2-(N-acetyl-4-piperazin-1-ylanilino)acetate
CID 19602904
1-[4-(4-chlorophenyl)phenyl]-1,4-diazepane
CID 16755362
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
CID 25102512
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 70689582
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 24980841

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide (CID 70695898) is 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide is CCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is ZQXYAXCRCBTDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 70695898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).