2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide

C24H14Cl4F4N2O2 — CID 122618490

About 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (PubChem CID 122618490) has the molecular formula C24H14Cl4F4N2O2 and a molecular weight of 580.19 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
• PubChem CID: 122618490
• Molecular Formula: C24H14Cl4F4N2O2
• Molecular Weight: 580.19 g/mol
• Exact Mass: 577.97
• IUPAC Name: 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
• SMILES: O=C(Nc1ccc(F)cc1F)c1cc(NC(=O)C2C(c3ccc(Cl)c(C(F)F)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C24H14Cl4F4N2O2/c25-15-4-1-10(7-13(15)21(31)32)19-20(24(19,27)28)23(36)33-12-3-5-16(26)14(9-12)22(35)34-18-6-2-11(29)8-17(18)30/h1-9,19-21H,(H,33,36)(H,34,35)
• InChIKey: UNQCLPVOWQONOT-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.19
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?

The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (CID 122618490) is 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.

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

The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)cc1F)c1cc(NC(=O)C2C(c3ccc(Cl)c(C(F)F)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?

The InChIKey is UNQCLPVOWQONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl4F4N2O2/c25-15-4-1-10(7-13(15)21(31)32)19-20(24(19,27)28)23(36)33-12-3-5-16(26)14(9-12)22(35)34-18-6-2-11(29)8-17(18)30/h1-9,19-21H,(H,33,36)(H,34,35).

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

2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide has a molecular weight of 580.19 g/mol, XLogP of 7.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 122618490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).