2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide

C23H16Cl3FN2O2 — CID 122630258

About 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide

2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide (PubChem CID 122630258) has the molecular formula C23H16Cl3FN2O2 and a molecular weight of 477.75 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
• PubChem CID: 122630258
• Molecular Formula: C23H16Cl3FN2O2
• Molecular Weight: 477.75 g/mol
• Exact Mass: 476.03
• IUPAC Name: 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
• SMILES: O=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C23H16Cl3FN2O2/c24-18-11-10-16(12-17(18)21(30)28-15-8-6-14(27)7-9-15)29-22(31)20-19(23(20,25)26)13-4-2-1-3-5-13/h1-12,19-20H,(H,28,30)(H,29,31)
• InChIKey: QSZXCUMXRHASIC-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.75
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide?

The IUPAC name of 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide (CID 122630258) is 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide.

What is the SMILES notation for 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide?

The canonical SMILES for 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide?

The InChIKey is QSZXCUMXRHASIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3FN2O2/c24-18-11-10-16(12-17(18)21(30)28-15-8-6-14(27)7-9-15)29-22(31)20-19(23(20,25)26)13-4-2-1-3-5-13/h1-12,19-20H,(H,28,30)(H,29,31).

What are the key properties of 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide?

2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 477.75 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122630258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).