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

C27H20Cl2N2O3 — CID 17117580

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

N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide (PubChem CID 17117580) has the molecular formula C27H20Cl2N2O3 and a molecular weight of 491.37 g/mol. Its IUPAC name is N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide
• PubChem CID: 17117580
• Molecular Formula: C27H20Cl2N2O3
• Molecular Weight: 491.37 g/mol
• Exact Mass: 490.09
• IUPAC Name: N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide
• SMILES: Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1NC(=O)c1ccccc1
• InChI: InChI=1S/C27H20Cl2N2O3/c1-17-15-20(8-12-24(17)31-27(33)18-5-3-2-4-6-18)30-26(32)14-10-21-9-13-25(34-21)22-11-7-19(28)16-23(22)29/h2-16H,1H3,(H,30,32)(H,31,33)/b14-10+
• InChIKey: OYDARPYGCZAPDD-GXDHUFHOSA-N
• XLogP: 7.47
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.37
LogP ≤ 5	7.47
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 N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide?

The IUPAC name of N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide (CID 17117580) is N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide.

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

The canonical SMILES for N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide is Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1NC(=O)c1ccccc1.

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

The InChIKey is OYDARPYGCZAPDD-GXDHUFHOSA-N. The full InChI is InChI=1S/C27H20Cl2N2O3/c1-17-15-20(8-12-24(17)31-27(33)18-5-3-2-4-6-18)30-26(32)14-10-21-9-13-25(34-21)22-11-7-19(28)16-23(22)29/h2-16H,1H3,(H,30,32)(H,31,33)/b14-10+.

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

N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide has a molecular weight of 491.37 g/mol, XLogP of 7.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 17117580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).