5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide

C25H12Cl4F7N3O3 — CID 140860376

About 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide

5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide (PubChem CID 140860376) has the molecular formula C25H12Cl4F7N3O3 and a molecular weight of 677.19 g/mol. Its IUPAC name is 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide.

Molecular Properties

• Compound Name: 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide
• PubChem CID: 140860376
• Molecular Formula: C25H12Cl4F7N3O3
• Molecular Weight: 677.19 g/mol
• Exact Mass: 674.95
• IUPAC Name: 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide
• SMILES: O=C(Nc1cc(NC(=O)C(F)(F)F)c(F)cc1F)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)cc(F)c1F
• InChI: InChI=1S/C25H12Cl4F7N3O3/c26-11-2-1-8(3-12(11)27)18-19(24(18,28)29)22(41)37-9-4-10(20(33)15(32)5-9)21(40)38-16-7-17(14(31)6-13(16)30)39-23(42)25(34,35)36/h1-7,18-19H,(H,37,41)(H,38,40)(H,39,42)/t18-,19+/m0/s1
• InChIKey: GYFPPTJORNCBNC-RBUKOAKNSA-N
• XLogP: 7.83
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.19
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	3
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 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide?

The IUPAC name of 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide (CID 140860376) is 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide.

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

The canonical SMILES for 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide is O=C(Nc1cc(NC(=O)C(F)(F)F)c(F)cc1F)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)cc(F)c1F.

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

The InChIKey is GYFPPTJORNCBNC-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H12Cl4F7N3O3/c26-11-2-1-8(3-12(11)27)18-19(24(18,28)29)22(41)37-9-4-10(20(33)15(32)5-9)21(40)38-16-7-17(14(31)6-13(16)30)39-23(42)25(34,35)36/h1-7,18-19H,(H,37,41)(H,38,40)(H,39,42)/t18-,19+/m0/s1.

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

5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide has a molecular weight of 677.19 g/mol, XLogP of 7.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide is sourced from PubChem (CID 140860376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).