N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C23H19Cl5F3N3O2 — CID 165144671

About N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 165144671) has the molecular formula C23H19Cl5F3N3O2 and a molecular weight of 603.68 g/mol. Its IUPAC name is N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• PubChem CID: 165144671
• Molecular Formula: C23H19Cl5F3N3O2
• Molecular Weight: 603.68 g/mol
• Exact Mass: 600.99
• IUPAC Name: N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)C1CCCN1CC(F)(F)F
• InChI: InChI=1S/C23H19Cl5F3N3O2/c24-12-6-11(7-13(25)8-12)18-19(23(18,27)28)21(36)32-14-3-4-15(26)16(9-14)33-20(35)17-2-1-5-34(17)10-22(29,30)31/h3-4,6-9,17-19H,1-2,5,10H2,(H,32,36)(H,33,35)
• InChIKey: CIGGDJVFPNPHDC-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.68
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	2
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 N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 165144671) is N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)C1CCCN1CC(F)(F)F.

What is the InChIKey of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The InChIKey is CIGGDJVFPNPHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl5F3N3O2/c24-12-6-11(7-13(25)8-12)18-19(23(18,27)28)21(36)32-14-3-4-15(26)16(9-14)33-20(35)17-2-1-5-34(17)10-22(29,30)31/h3-4,6-9,17-19H,1-2,5,10H2,(H,32,36)(H,33,35).

What are the key properties of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 603.68 g/mol, XLogP of 7.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 165144671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).