5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide

C24H15Cl3F4N2O2 — CID 175576559

About 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide

5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 175576559) has the molecular formula C24H15Cl3F4N2O2 and a molecular weight of 545.75 g/mol. Its IUPAC name is 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

• Compound Name: 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide
• PubChem CID: 175576559
• Molecular Formula: C24H15Cl3F4N2O2
• Molecular Weight: 545.75 g/mol
• Exact Mass: 544.01
• IUPAC Name: 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide
• SMILES: Cc1cc(C2(C(N)=O)C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(C(=O)Nc2ccc(F)cc2F)c1F
• InChI: InChI=1S/C24H15Cl3F4N2O2/c1-10-6-12(8-14(19(10)31)21(34)33-18-5-3-13(28)9-17(18)30)23(22(32)35)20(24(23,26)27)11-2-4-16(29)15(25)7-11/h2-9,20H,1H3,(H2,32,35)(H,33,34)
• InChIKey: YOFULCWSPRAFJM-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 72.19 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	545.75
LogP ≤ 5	6.15
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 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide?

The IUPAC name of 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide (CID 175576559) is 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide.

What is the SMILES notation for 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide?

The canonical SMILES for 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide is Cc1cc(C2(C(N)=O)C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(C(=O)Nc2ccc(F)cc2F)c1F.

What is the InChIKey of 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide?

The InChIKey is YOFULCWSPRAFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3F4N2O2/c1-10-6-12(8-14(19(10)31)21(34)33-18-5-3-13(28)9-17(18)30)23(22(32)35)20(24(23,26)27)11-2-4-16(29)15(25)7-11/h2-9,20H,1H3,(H2,32,35)(H,33,34).

What are the key properties of 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide?

5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 545.75 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 175576559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).