N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide

C23H17Cl2F5N8O2 — CID 142564210

About N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide

N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 142564210) has the molecular formula C23H17Cl2F5N8O2 and a molecular weight of 603.34 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
• PubChem CID: 142564210
• Molecular Formula: C23H17Cl2F5N8O2
• Molecular Weight: 603.34 g/mol
• Exact Mass: 602.08
• IUPAC Name: N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
• SMILES: O=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)C1CC1(F)F
• InChI: InChI=1S/C23H17Cl2F5N8O2/c24-13-5-3-12(4-6-13)18-35-37(10-17-32-11-38(34-17)19-15(25)2-1-7-31-19)21(40)36(18)9-16(23(28,29)30)33-20(39)14-8-22(14,26)27/h1-7,11,14,16H,8-10H2,(H,33,39)
• InChIKey: RPDVXKRTSHQHKP-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 112.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.34
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?

The IUPAC name of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 142564210) is N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide is O=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)C1CC1(F)F.

What is the InChIKey of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?

The InChIKey is RPDVXKRTSHQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F5N8O2/c24-13-5-3-12(4-6-13)18-35-37(10-17-32-11-38(34-17)19-15(25)2-1-7-31-19)21(40)36(18)9-16(23(28,29)30)33-20(39)14-8-22(14,26)27/h1-7,11,14,16H,8-10H2,(H,33,39).

What are the key properties of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide?

N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 603.34 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 142564210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).