2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

C24H17Cl4F7N2O2 — CID 130237173

About 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide (PubChem CID 130237173) has the molecular formula C24H17Cl4F7N2O2 and a molecular weight of 640.21 g/mol. Its IUPAC name is 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
• PubChem CID: 130237173
• Molecular Formula: C24H17Cl4F7N2O2
• Molecular Weight: 640.21 g/mol
• Exact Mass: 637.99
• IUPAC Name: 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
• SMILES: CN(CC(F)(F)F)C(=O)C1(NC(=O)c2ccc(/C(F)=C/C(c3cc(Cl)c(Cl)c(Cl)c3)C(F)(F)F)cc2Cl)CC1
• InChI: InChI=1S/C24H17Cl4F7N2O2/c1-37(10-23(30,31)32)21(39)22(4-5-22)36-20(38)13-3-2-11(6-15(13)25)18(29)9-14(24(33,34)35)12-7-16(26)19(28)17(27)8-12/h2-3,6-9,14H,4-5,10H2,1H3,(H,36,38)/b18-9-
• InChIKey: UDHCIBGXMMPOEB-NVMNQCDNSA-N
• XLogP: 8.24
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.21
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

The IUPAC name of 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide (CID 130237173) is 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide.

What is the SMILES notation for 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

The canonical SMILES for 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide is CN(CC(F)(F)F)C(=O)C1(NC(=O)c2ccc(/C(F)=C/C(c3cc(Cl)c(Cl)c(Cl)c3)C(F)(F)F)cc2Cl)CC1.

What is the InChIKey of 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

The InChIKey is UDHCIBGXMMPOEB-NVMNQCDNSA-N. The full InChI is InChI=1S/C24H17Cl4F7N2O2/c1-37(10-23(30,31)32)21(39)22(4-5-22)36-20(38)13-3-2-11(6-15(13)25)18(29)9-14(24(33,34)35)12-7-16(26)19(28)17(27)8-12/h2-3,6-9,14H,4-5,10H2,1H3,(H,36,38)/b18-9-.

What are the key properties of 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide has a molecular weight of 640.21 g/mol, XLogP of 8.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide is sourced from PubChem (CID 130237173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).