2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide

C23H12Cl5F3N2O2 — CID 122617362

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide (PubChem CID 122617362) has the molecular formula C23H12Cl5F3N2O2 and a molecular weight of 582.62 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide
• PubChem CID: 122617362
• Molecular Formula: C23H12Cl5F3N2O2
• Molecular Weight: 582.62 g/mol
• Exact Mass: 579.93
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide
• SMILES: O=C(Nc1c(F)cccc1F)c1cc(NC(=O)C2C(c3cc(Cl)c(F)c(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C23H12Cl5F3N2O2/c24-12-5-4-10(8-11(12)21(34)33-20-15(29)2-1-3-16(20)30)32-22(35)18-17(23(18,27)28)9-6-13(25)19(31)14(26)7-9/h1-8,17-18H,(H,32,35)(H,33,34)
• InChIKey: UFIRECBBNKPNEG-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.62
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide (CID 122617362) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide.

What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide?

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide is O=C(Nc1c(F)cccc1F)c1cc(NC(=O)C2C(c3cc(Cl)c(F)c(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide?

The InChIKey is UFIRECBBNKPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl5F3N2O2/c24-12-5-4-10(8-11(12)21(34)33-20-15(29)2-1-3-16(20)30)32-22(35)18-17(23(18,27)28)9-6-13(25)19(31)14(26)7-9/h1-8,17-18H,(H,32,35)(H,33,34).

What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide?

2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide has a molecular weight of 582.62 g/mol, XLogP of 7.84, 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-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide is sourced from PubChem (CID 122617362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).