2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C24H19Cl5F3NO3 — CID 147063227

About 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 147063227) has the molecular formula C24H19Cl5F3NO3 and a molecular weight of 603.68 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 147063227
• Molecular Formula: C24H19Cl5F3NO3
• Molecular Weight: 603.68 g/mol
• Exact Mass: 600.98
• IUPAC Name: 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• SMILES: O=C(CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)CCC(F)(F)F
• InChI: InChI=1S/C24H19Cl5F3NO3/c25-13-8-12(9-14(26)10-13)20-21(24(20,28)29)22(36)33-15-4-5-18(27)17(11-15)19(35)3-1-2-16(34)6-7-23(30,31)32/h4-5,8-11,20-21H,1-3,6-7H2,(H,33,36)
• InChIKey: BDOPJIZZSHGFQJ-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.68
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	1
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 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 147063227) is 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is O=C(CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)CCC(F)(F)F.

What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The InChIKey is BDOPJIZZSHGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl5F3NO3/c25-13-8-12(9-14(26)10-13)20-21(24(20,28)29)22(36)33-15-4-5-18(27)17(11-15)19(35)3-1-2-16(34)6-7-23(30,31)32/h4-5,8-11,20-21H,1-3,6-7H2,(H,33,36).

What are the key properties of 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 603.68 g/mol, XLogP of 8.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 147063227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).