2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide

C25H13Cl4F6NO2 — CID 147535233

About 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 147535233) has the molecular formula C25H13Cl4F6NO2 and a molecular weight of 615.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 147535233
• Molecular Formula: C25H13Cl4F6NO2
• Molecular Weight: 615.18 g/mol
• Exact Mass: 612.96
• IUPAC Name: 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
• SMILES: O=C(Cc1ccc(F)cc1F)c1cc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(C(F)(F)F)c1Cl
• InChI: InChI=1S/C25H13Cl4F6NO2/c26-16-5-11(2-4-17(16)31)20-21(24(20,28)29)23(38)36-13-8-14(22(27)15(9-13)25(33,34)35)19(37)6-10-1-3-12(30)7-18(10)32/h1-5,7-9,20-21H,6H2,(H,36,38)
• InChIKey: FNVKXTYPWIYOGD-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.18
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	1
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 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide (CID 147535233) is 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide is O=C(Cc1ccc(F)cc1F)c1cc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(C(F)(F)F)c1Cl.

What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?

The InChIKey is FNVKXTYPWIYOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13Cl4F6NO2/c26-16-5-11(2-4-17(16)31)20-21(24(20,28)29)23(38)36-13-8-14(22(27)15(9-13)25(33,34)35)19(37)6-10-1-3-12(30)7-18(10)32/h1-5,7-9,20-21H,6H2,(H,36,38).

What are the key properties of 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?

2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 615.18 g/mol, XLogP of 8.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]-5-(trifluoromethyl)phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 147535233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).