N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide

C23H11Cl5F4N2O2 — CID 165144836

About N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide

N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide (PubChem CID 165144836) has the molecular formula C23H11Cl5F4N2O2 and a molecular weight of 600.61 g/mol. Its IUPAC name is N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide.

Molecular Properties

• Compound Name: N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide
• PubChem CID: 165144836
• Molecular Formula: C23H11Cl5F4N2O2
• Molecular Weight: 600.61 g/mol
• Exact Mass: 597.92
• IUPAC Name: N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide
• SMILES: O=C(Nc1c(F)ccc(NC(=O)[C@H]2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)c1F)c1ccc(F)cc1F
• InChI: InChI=1S/C23H11Cl5F4N2O2/c24-11-5-8(6-12(25)18(11)26)16-17(23(16,27)28)22(36)33-15-4-3-13(30)20(19(15)32)34-21(35)10-2-1-9(29)7-14(10)31/h1-7,16-17H,(H,33,36)(H,34,35)/t16-,17+/m0/s1
• InChIKey: DFGWJGHTMSIDNL-DLBZAZTESA-N
• XLogP: 7.98
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.61
LogP ≤ 5	7.98
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_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide?

The IUPAC name of N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide (CID 165144836) is N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide.

What is the SMILES notation for N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide?

The canonical SMILES for N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide is O=C(Nc1c(F)ccc(NC(=O)[C@H]2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)c1F)c1ccc(F)cc1F.

What is the InChIKey of N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide?

The InChIKey is DFGWJGHTMSIDNL-DLBZAZTESA-N. The full InChI is InChI=1S/C23H11Cl5F4N2O2/c24-11-5-8(6-12(25)18(11)26)16-17(23(16,27)28)22(36)33-15-4-3-13(30)20(19(15)32)34-21(35)10-2-1-9(29)7-14(10)31/h1-7,16-17H,(H,33,36)(H,34,35)/t16-,17+/m0/s1.

What are the key properties of N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide?

N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide has a molecular weight of 600.61 g/mol, XLogP of 7.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-2,6-difluorophenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 165144836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).