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

C22H22ClN3O2 — CID 1494312

IUPAC5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1
InChIInChI=1S/C22H22ClN3O2/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)24-22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyQONRQALSXOAURD-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.60
Rot. Bonds4

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

5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 1494312) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID1494312
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1
InChIInChI=1S/C22H22ClN3O2/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)24-22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyQONRQALSXOAURD-UHFFFAOYSA-N
XLogP4.60
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 1494312) is 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is QONRQALSXOAURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)24-22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11H,12-15H2,1H3,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1494312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).