2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

C25H16Cl6N4O2 — CID 122617940

About 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 122617940) has the molecular formula C25H16Cl6N4O2 and a molecular weight of 617.15 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
• PubChem CID: 122617940
• Molecular Formula: C25H16Cl6N4O2
• Molecular Weight: 617.15 g/mol
• Exact Mass: 613.94
• IUPAC Name: 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
• SMILES: Cn1nc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c2c(Cl)cccc21
• InChI: InChI=1S/C25H16Cl6N4O2/c1-35-18-4-2-3-17(29)19(18)22(34-35)33-23(36)15-10-14(5-6-16(15)28)32-24(37)21-20(25(21,30)31)11-7-12(26)9-13(27)8-11/h2-10,20-21H,1H3,(H,32,37)(H,33,34,36)
• InChIKey: XPWAPEHSKKFMRJ-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.15
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The IUPAC name of 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 122617940) is 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

What is the SMILES notation for 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The canonical SMILES for 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is Cn1nc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c2c(Cl)cccc21.

What is the InChIKey of 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The InChIKey is XPWAPEHSKKFMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl6N4O2/c1-35-18-4-2-3-17(29)19(18)22(34-35)33-23(36)15-10-14(5-6-16(15)28)32-24(37)21-20(25(21,30)31)11-7-12(26)9-13(27)8-11/h2-10,20-21H,1H3,(H,32,37)(H,33,34,36).

What are the key properties of 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 617.15 g/mol, XLogP of 7.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 122617940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).