2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide

C27H16Cl6F5N3O3S — CID 155757492

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide (PubChem CID 155757492) has the molecular formula C27H16Cl6F5N3O3S and a molecular weight of 770.22 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide
• PubChem CID: 155757492
• Molecular Formula: C27H16Cl6F5N3O3S
• Molecular Weight: 770.22 g/mol
• Exact Mass: 766.90
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide
• SMILES: CC(SC(F)(F)F)C(=O)Nc1c(F)ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4cc(Cl)c(Cl)c(Cl)c4)C3(Cl)Cl)ccc2Cl)c1F
• InChI: InChI=1S/C27H16Cl6F5N3O3S/c1-9(45-27(36,37)38)23(42)41-22-16(34)4-5-17(21(22)35)40-24(43)12-8-11(2-3-13(12)28)39-25(44)19-18(26(19,32)33)10-6-14(29)20(31)15(30)7-10/h2-9,18-19H,1H3,(H,39,44)(H,40,43)(H,41,42)/t9?,18-,19+/m0/s1
• InChIKey: UWNOCJGSKDGCHZ-RHQPJKKBSA-N
• XLogP: 9.94
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.22
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide (CID 155757492) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide.

What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide?

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide is CC(SC(F)(F)F)C(=O)Nc1c(F)ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4cc(Cl)c(Cl)c(Cl)c4)C3(Cl)Cl)ccc2Cl)c1F.

What is the InChIKey of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide?

The InChIKey is UWNOCJGSKDGCHZ-RHQPJKKBSA-N. The full InChI is InChI=1S/C27H16Cl6F5N3O3S/c1-9(45-27(36,37)38)23(42)41-22-16(34)4-5-17(21(22)35)40-24(43)12-8-11(2-3-13(12)28)39-25(44)19-18(26(19,32)33)10-6-14(29)20(31)15(30)7-10/h2-9,18-19H,1H3,(H,39,44)(H,40,43)(H,41,42)/t9?,18-,19+/m0/s1.

What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide?

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide has a molecular weight of 770.22 g/mol, XLogP of 9.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 155757492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).