2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide

C24H15Cl5F2N2O3 — CID 134418822

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide (PubChem CID 134418822) has the molecular formula C24H15Cl5F2N2O3 and a molecular weight of 594.66 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide
• PubChem CID: 134418822
• Molecular Formula: C24H15Cl5F2N2O3
• Molecular Weight: 594.66 g/mol
• Exact Mass: 591.95
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide
• SMILES: COc1c(F)ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c1F
• InChI: InChI=1S/C24H15Cl5F2N2O3/c1-36-21-16(30)4-5-17(20(21)31)33-22(34)14-9-13(2-3-15(14)27)32-23(35)19-18(24(19,28)29)10-6-11(25)8-12(26)7-10/h2-9,18-19H,1H3,(H,32,35)(H,33,34)
• InChIKey: LGFLTNWUVMNUBY-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.66
LogP ≤ 5	7.71
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-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide (CID 134418822) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide.

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

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide is COc1c(F)ccc(NC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c1F.

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

The InChIKey is LGFLTNWUVMNUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl5F2N2O3/c1-36-21-16(30)4-5-17(20(21)31)33-22(34)14-9-13(2-3-15(14)27)32-23(35)19-18(24(19,28)29)10-6-11(25)8-12(26)7-10/h2-9,18-19H,1H3,(H,32,35)(H,33,34).

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

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide has a molecular weight of 594.66 g/mol, XLogP of 7.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide is sourced from PubChem (CID 134418822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).