2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C19H9Cl3F8N2O2 — CID 140859650

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 140859650) has the molecular formula C19H9Cl3F8N2O2 and a molecular weight of 555.64 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 140859650
• Molecular Formula: C19H9Cl3F8N2O2
• Molecular Weight: 555.64 g/mol
• Exact Mass: 553.96
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: O=C(NCC(F)(F)F)c1cc(NC(=O)[C@H]2[C@H](c3c(F)c(F)c(F)c(F)c3F)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C19H9Cl3F8N2O2/c20-7-2-1-5(3-6(7)16(33)31-4-18(28,29)30)32-17(34)10-9(19(10,21)22)8-11(23)13(25)15(27)14(26)12(8)24/h1-3,9-10H,4H2,(H,31,33)(H,32,34)/t9-,10+/m0/s1
• InChIKey: MZHZZMXRRUOLIO-VHSXEESVSA-N
• XLogP: 5.85
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.64
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 140859650) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cc(NC(=O)[C@H]2[C@H](c3c(F)c(F)c(F)c(F)c3F)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is MZHZZMXRRUOLIO-VHSXEESVSA-N. The full InChI is InChI=1S/C19H9Cl3F8N2O2/c20-7-2-1-5(3-6(7)16(33)31-4-18(28,29)30)32-17(34)10-9(19(10,21)22)8-11(23)13(25)15(27)14(26)12(8)24/h1-3,9-10H,4H2,(H,31,33)(H,32,34)/t9-,10+/m0/s1.

What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 555.64 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 140859650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).