2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

C25H16Cl5N3O2 — CID 122618916

About 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 122618916) has the molecular formula C25H16Cl5N3O2 and a molecular weight of 567.69 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
• PubChem CID: 122618916
• Molecular Formula: C25H16Cl5N3O2
• Molecular Weight: 567.69 g/mol
• Exact Mass: 564.97
• IUPAC Name: 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
• SMILES: Cc1ccc(C#N)c(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c1
• InChI: InChI=1S/C25H16Cl5N3O2/c1-12-2-3-13(11-31)20(6-12)33-23(34)18-10-17(4-5-19(18)28)32-24(35)22-21(25(22,29)30)14-7-15(26)9-16(27)8-14/h2-10,21-22H,1H3,(H,32,35)(H,33,34)
• InChIKey: OAEWIBGHQFYZIO-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 81.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The IUPAC name of 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 122618916) is 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

What is the SMILES notation for 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The canonical SMILES for 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is Cc1ccc(C#N)c(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c1.

What is the InChIKey of 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The InChIKey is OAEWIBGHQFYZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl5N3O2/c1-12-2-3-13(11-31)20(6-12)33-23(34)18-10-17(4-5-19(18)28)32-24(35)22-21(25(22,29)30)14-7-15(26)9-16(27)8-14/h2-10,21-22H,1H3,(H,32,35)(H,33,34).

What are the key properties of 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 567.69 g/mol, XLogP of 7.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 122618916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).