2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen

C25H19Cl6F4N3O3 — CID 158710506

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen (PubChem CID 158710506) has the molecular formula C25H19Cl6F4N3O3 and a molecular weight of 698.16 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen
• PubChem CID: 158710506
• Molecular Formula: C25H19Cl6F4N3O3
• Molecular Weight: 698.16 g/mol
• Exact Mass: 694.95
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen
• SMILES: O=C(Nc1cc(NC(=O)C(F)F)c(F)cc1F)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H13Cl6F4N3O3.3H2/c26-11-2-1-9(36-23(40)19-18(25(19,30)31)8-3-12(27)20(29)13(28)4-8)5-10(11)22(39)37-16-7-17(15(33)6-14(16)32)38-24(41)21(34)35;;;/h1-7,18-19,21H,(H,36,40)(H,37,39)(H,38,41);3*1H/t18-,19+;;;/m0.../s1
• InChIKey: IIQPUTJRSFOMHZ-SCGPDRHWSA-N
• XLogP: 9.30
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.16
LogP ≤ 5	9.30
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 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen (CID 158710506) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen.

What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen?

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen is O=C(Nc1cc(NC(=O)C(F)F)c(F)cc1F)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.[H][H].[H][H].[H][H].

What is the InChIKey of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen?

The InChIKey is IIQPUTJRSFOMHZ-SCGPDRHWSA-N. The full InChI is InChI=1S/C25H13Cl6F4N3O3.3H2/c26-11-2-1-9(36-23(40)19-18(25(19,30)31)8-3-12(27)20(29)13(28)4-8)5-10(11)22(39)37-16-7-17(15(33)6-14(16)32)38-24(41)21(34)35;;;/h1-7,18-19,21H,(H,36,40)(H,37,39)(H,38,41);3*1H/t18-,19+;;;/m0.../s1.

What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen?

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen has a molecular weight of 698.16 g/mol, XLogP of 9.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[5-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide;molecular hydrogen is sourced from PubChem (CID 158710506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).