5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide

C24H15Cl4F3N2O2 — CID 122617448

About 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide

5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide (PubChem CID 122617448) has the molecular formula C24H15Cl4F3N2O2 and a molecular weight of 562.20 g/mol. Its IUPAC name is 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
• PubChem CID: 122617448
• Molecular Formula: C24H15Cl4F3N2O2
• Molecular Weight: 562.20 g/mol
• Exact Mass: 559.98
• IUPAC Name: 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
• SMILES: CN(C(=O)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1F)c1ccc(F)cc1F
• InChI: InChI=1S/C24H15Cl4F3N2O2/c1-33(19-5-2-14(29)9-18(19)31)23(35)16-10-15(3-4-17(16)30)32-22(34)21-20(24(21,27)28)11-6-12(25)8-13(26)7-11/h2-10,20-21H,1H3,(H,32,34)/t20-,21+/m0/s1
• InChIKey: KHSUSJDVRWNCNP-LEWJYISDSA-N
• XLogP: 7.21
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.20
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
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 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide?

The IUPAC name of 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide (CID 122617448) is 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide.

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

The canonical SMILES for 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide is CN(C(=O)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1F)c1ccc(F)cc1F.

What is the InChIKey of 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide?

The InChIKey is KHSUSJDVRWNCNP-LEWJYISDSA-N. The full InChI is InChI=1S/C24H15Cl4F3N2O2/c1-33(19-5-2-14(29)9-18(19)31)23(35)16-10-15(3-4-17(16)30)32-22(34)21-20(24(21,27)28)11-6-12(25)8-13(26)7-11/h2-10,20-21H,1H3,(H,32,34)/t20-,21+/m0/s1.

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

5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide has a molecular weight of 562.20 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 122617448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).