N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide

C25H17Cl2NO4 — CID 18830572

About N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide

N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 18830572) has the molecular formula C25H17Cl2NO4 and a molecular weight of 466.32 g/mol. Its IUPAC name is N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide
• PubChem CID: 18830572
• Molecular Formula: C25H17Cl2NO4
• Molecular Weight: 466.32 g/mol
• Exact Mass: 465.05
• IUPAC Name: N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide
• SMILES: Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1
• InChI: InChI=1S/C25H17Cl2NO4/c1-15-22(9-10-31-15)25(30)28-20-4-2-3-16(13-20)23(29)7-5-21-6-8-24(32-21)17-11-18(26)14-19(27)12-17/h2-14H,1H3,(H,28,30)/b7-5+
• InChIKey: VGVPLSIMYIGEEG-FNORWQNLSA-N
• XLogP: 7.30
• TPSA: 72.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.32
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide (CID 18830572) is N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1.

What is the InChIKey of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide?

The InChIKey is VGVPLSIMYIGEEG-FNORWQNLSA-N. The full InChI is InChI=1S/C25H17Cl2NO4/c1-15-22(9-10-31-15)25(30)28-20-4-2-3-16(13-20)23(29)7-5-21-6-8-24(32-21)17-11-18(26)14-19(27)12-17/h2-14H,1H3,(H,28,30)/b7-5+.

What are the key properties of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide?

N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 466.32 g/mol, XLogP of 7.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 18830572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).