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

C27H20Cl3F8N3O3 — CID 160595404

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

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen (PubChem CID 160595404) has the molecular formula C27H20Cl3F8N3O3 and a molecular weight of 692.82 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen
• PubChem CID: 160595404
• Molecular Formula: C27H20Cl3F8N3O3
• Molecular Weight: 692.82 g/mol
• Exact Mass: 691.04
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen
• SMILES: CN(C(=O)C(F)F)c1c(F)ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F.[H][H].[H][H]
• InChI: InChI=1S/C27H16Cl3F8N3O3.2H2/c1-41(25(44)22(34)35)21-16(32)6-7-17(20(21)33)40-23(42)12-9-11(3-4-14(12)28)39-24(43)19-18(26(19,29)30)10-2-5-15(31)13(8-10)27(36,37)38;;/h2-9,18-19,22H,1H3,(H,39,43)(H,40,42);2*1H/t18-,19+;;/m0../s1
• InChIKey: RDOIUTJXGLLYET-DPSPSOFVSA-N
• XLogP: 8.27
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.82
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	2
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 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen (CID 160595404) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen.

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

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen is CN(C(=O)C(F)F)c1c(F)ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F.[H][H].[H][H].

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

The InChIKey is RDOIUTJXGLLYET-DPSPSOFVSA-N. The full InChI is InChI=1S/C27H16Cl3F8N3O3.2H2/c1-41(25(44)22(34)35)21-16(32)6-7-17(20(21)33)40-23(42)12-9-11(3-4-14(12)28)39-24(43)19-18(26(19,29)30)10-2-5-15(31)13(8-10)27(36,37)38;;/h2-9,18-19,22H,1H3,(H,39,43)(H,40,42);2*1H/t18-,19+;;/m0../s1.

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

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen has a molecular weight of 692.82 g/mol, XLogP of 8.27, 7 rotatable bonds, 2 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-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)-methylamino]-2,4-difluorophenyl]benzamide;molecular hydrogen is sourced from PubChem (CID 160595404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).