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

C31H30ClN3O3 — CID 148723104

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

N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 148723104) has the molecular formula C31H30ClN3O3 and a molecular weight of 528.05 g/mol. Its IUPAC name is N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
• PubChem CID: 148723104
• Molecular Formula: C31H30ClN3O3
• Molecular Weight: 528.05 g/mol
• Exact Mass: 527.20
• IUPAC Name: N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
• SMILES: Cc1ccccc1N1CCN(c2ccc(C(=O)CCc3ccc(Cl)cc3)cc2NC(=O)c2ccco2)CC1
• InChI: InChI=1S/C31H30ClN3O3/c1-22-5-2-3-6-27(22)34-16-18-35(19-17-34)28-14-11-24(21-26(28)33-31(37)30-7-4-20-38-30)29(36)15-10-23-8-12-25(32)13-9-23/h2-9,11-14,20-21H,10,15-19H2,1H3,(H,33,37)
• InChIKey: NZLYDCMRYHAIEH-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.05
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 148723104) is N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is Cc1ccccc1N1CCN(c2ccc(C(=O)CCc3ccc(Cl)cc3)cc2NC(=O)c2ccco2)CC1.

What is the InChIKey of N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The InChIKey is NZLYDCMRYHAIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN3O3/c1-22-5-2-3-6-27(22)34-16-18-35(19-17-34)28-14-11-24(21-26(28)33-31(37)30-7-4-20-38-30)29(36)15-10-23-8-12-25(32)13-9-23/h2-9,11-14,20-21H,10,15-19H2,1H3,(H,33,37).

What are the key properties of N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 528.05 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 148723104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).