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

C25H11Cl5F7N3O3 — CID 140860130

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

5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide (PubChem CID 140860130) has the molecular formula C25H11Cl5F7N3O3 and a molecular weight of 711.63 g/mol. Its IUPAC name is 5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide.

Molecular Properties

• Compound Name: 5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide
• PubChem CID: 140860130
• Molecular Formula: C25H11Cl5F7N3O3
• Molecular Weight: 711.63 g/mol
• Exact Mass: 708.91
• IUPAC Name: 5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide
• SMILES: O=C(Nc1c(F)ccc(NC(=O)C(F)(F)F)c1F)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)cc(F)c1F
• InChI: InChI=1S/C25H11Cl5F7N3O3/c26-10-3-7(4-11(27)17(10)28)15-16(24(15,29)30)22(42)38-8-5-9(18(33)13(32)6-8)21(41)40-20-12(31)1-2-14(19(20)34)39-23(43)25(35,36)37/h1-6,15-16H,(H,38,42)(H,39,43)(H,40,41)/t15-,16+/m0/s1
• InChIKey: VOEVRLCWHKTNBM-JKSUJKDBSA-N
• XLogP: 8.48
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.63
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

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 5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide?

The IUPAC name of 5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide (CID 140860130) is 5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide.

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

The canonical SMILES for 5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide is O=C(Nc1c(F)ccc(NC(=O)C(F)(F)F)c1F)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)cc(F)c1F.

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

The InChIKey is VOEVRLCWHKTNBM-JKSUJKDBSA-N. The full InChI is InChI=1S/C25H11Cl5F7N3O3/c26-10-3-7(4-11(27)17(10)28)15-16(24(15,29)30)22(42)38-8-5-9(18(33)13(32)6-8)21(41)40-20-12(31)1-2-14(19(20)34)39-23(43)25(35,36)37/h1-6,15-16H,(H,38,42)(H,39,43)(H,40,41)/t15-,16+/m0/s1.

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

5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide has a molecular weight of 711.63 g/mol, XLogP of 8.48, 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-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,3-difluorobenzamide is sourced from PubChem (CID 140860130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).