2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide

C26H16Cl4N2O3 — CID 17319130

About 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide

2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide (PubChem CID 17319130) has the molecular formula C26H16Cl4N2O3 and a molecular weight of 546.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
• PubChem CID: 17319130
• Molecular Formula: C26H16Cl4N2O3
• Molecular Weight: 546.24 g/mol
• Exact Mass: 543.99
• IUPAC Name: 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
• SMILES: O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C26H16Cl4N2O3/c27-16-4-7-22(23(30)13-16)26(34)32-20-3-1-2-19(14-20)31-25(33)9-6-21-5-8-24(35-21)15-10-17(28)12-18(29)11-15/h1-14H,(H,31,33)(H,32,34)/b9-6+
• InChIKey: WVRIAKZFEPDRAX-RMKNXTFCSA-N
• XLogP: 8.46
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.24
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide (CID 17319130) is 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide is O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.

What is the InChIKey of 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide?

The InChIKey is WVRIAKZFEPDRAX-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H16Cl4N2O3/c27-16-4-7-22(23(30)13-16)26(34)32-20-3-1-2-19(14-20)31-25(33)9-6-21-5-8-24(35-21)15-10-17(28)12-18(29)11-15/h1-14H,(H,31,33)(H,32,34)/b9-6+.

What are the key properties of 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide?

2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide has a molecular weight of 546.24 g/mol, XLogP of 8.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide is sourced from PubChem (CID 17319130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).