2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide

C24H14Cl5F3N2O3 — CID 122618471

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 122618471) has the molecular formula C24H14Cl5F3N2O3 and a molecular weight of 612.65 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
• PubChem CID: 122618471
• Molecular Formula: C24H14Cl5F3N2O3
• Molecular Weight: 612.65 g/mol
• Exact Mass: 609.94
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
• SMILES: O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C24H14Cl5F3N2O3/c25-12-7-11(8-13(26)9-12)19-20(23(19,28)29)22(36)34-15-3-6-18(27)17(10-15)21(35)33-14-1-4-16(5-2-14)37-24(30,31)32/h1-10,19-20H,(H,33,35)(H,34,36)/t19-,20+/m0/s1
• InChIKey: VZFWXDMOHHOJHU-VQTJNVASSA-N
• XLogP: 8.32
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.65
LogP ≤ 5	8.32
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 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 122618471) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide.

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

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.

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

The InChIKey is VZFWXDMOHHOJHU-VQTJNVASSA-N. The full InChI is InChI=1S/C24H14Cl5F3N2O3/c25-12-7-11(8-13(26)9-12)19-20(23(19,28)29)22(36)34-15-3-6-18(27)17(10-15)21(35)33-14-1-4-16(5-2-14)37-24(30,31)32/h1-10,19-20H,(H,33,35)(H,34,36)/t19-,20+/m0/s1.

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

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 612.65 g/mol, XLogP of 8.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 122618471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).