2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C26H15Cl5F3NO2 — CID 147576133

About 2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 147576133) has the molecular formula C26H15Cl5F3NO2 and a molecular weight of 607.67 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 147576133
• Molecular Formula: C26H15Cl5F3NO2
• Molecular Weight: 607.67 g/mol
• Exact Mass: 604.95
• IUPAC Name: 2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• SMILES: C=C(F)c1cc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)cc(F)c1F
• InChI: InChI=1S/C26H15Cl5F3NO2/c1-11(32)17-4-12(5-20(33)24(17)34)6-21(36)18-10-16(2-3-19(18)29)35-25(37)23-22(26(23,30)31)13-7-14(27)9-15(28)8-13/h2-5,7-10,22-23H,1,6H2,(H,35,37)
• InChIKey: FVMXVAHWFHQHND-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.67
LogP ≤ 5	8.82
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-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 147576133) is 2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

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

The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is C=C(F)c1cc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)cc(F)c1F.

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

The InChIKey is FVMXVAHWFHQHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl5F3NO2/c1-11(32)17-4-12(5-20(33)24(17)34)6-21(36)18-10-16(2-3-19(18)29)35-25(37)23-22(26(23,30)31)13-7-14(27)9-15(28)8-13/h2-5,7-10,22-23H,1,6H2,(H,35,37).

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

2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 607.67 g/mol, XLogP of 8.82, 7 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-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 147576133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).