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

C23H12Cl4F4N2O2 — CID 134418681

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

6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide (PubChem CID 134418681) has the molecular formula C23H12Cl4F4N2O2 and a molecular weight of 566.17 g/mol. Its IUPAC name is 6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

• Compound Name: 6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
• PubChem CID: 134418681
• Molecular Formula: C23H12Cl4F4N2O2
• Molecular Weight: 566.17 g/mol
• Exact Mass: 563.96
• IUPAC Name: 6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
• SMILES: O=C(Nc1ccc(F)cc1F)c1c(Cl)ccc(NC(=O)C2[C@H](c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1F
• InChI: InChI=1S/C23H12Cl4F4N2O2/c24-11-3-6-16(20(31)17(11)21(34)32-15-5-2-10(28)8-14(15)30)33-22(35)19-18(23(19,26)27)9-1-4-13(29)12(25)7-9/h1-8,18-19H,(H,32,34)(H,33,35)/t18-,19?/m0/s1
• InChIKey: VUGODLQBIVTULN-OYKVQYDMSA-N
• XLogP: 7.33
• 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	566.17
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide (CID 134418681) is 6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide.

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

The canonical SMILES for 6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide is O=C(Nc1ccc(F)cc1F)c1c(Cl)ccc(NC(=O)C2[C@H](c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1F.

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

The InChIKey is VUGODLQBIVTULN-OYKVQYDMSA-N. The full InChI is InChI=1S/C23H12Cl4F4N2O2/c24-11-3-6-16(20(31)17(11)21(34)32-15-5-2-10(28)8-14(15)30)33-22(35)19-18(23(19,26)27)9-1-4-13(29)12(25)7-9/h1-8,18-19H,(H,32,34)(H,33,35)/t18-,19?/m0/s1.

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

6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide has a molecular weight of 566.17 g/mol, XLogP of 7.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 134418681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).