NZSXPLSCXKHKLG-UHFFFAOYSA-N

C₄₀H₄₁Cl₂F₁₂N₂O₇PSi₂ — CID 159931840

About NZSXPLSCXKHKLG-UHFFFAOYSA-N

NZSXPLSCXKHKLG-UHFFFAOYSA-N (PubChem CID 159931840) has the molecular formula C₄₀H₄₁Cl₂F₁₂N₂O₇PSi₂ and a molecular weight of 1047.80 g/mol. Its IUPAC name is [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

• Compound Name: NZSXPLSCXKHKLG-UHFFFAOYSA-N
• PubChem CID: 159931840
• Molecular Formula: C₄₀H₄₁Cl₂F₁₂N₂O₇PSi₂
• Molecular Weight: 1047.80 g/mol
• Exact Mass: 1046.14
• IUPAC Name: [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
• SMILES: C[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
• InChI: InChI=1S/C25H33ClF6NO5PSi2.C15H8ClF6NO2/c1-40(2,3)11-9-36-39(35,37-10-12-41(4,5)6)38-22-8-7-19(26)16-21(22)23(34)33-20-14-17(24(27,28)29)13-18(15-20)25(30,31)32;16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h7-8,13-16H,9-12H2,1-6H3,(H,33,34);1-6,24H,(H,23,25)
• InChIKey: NZSXPLSCXKHKLG-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 123.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.80
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of NZSXPLSCXKHKLG-UHFFFAOYSA-N?

The IUPAC name of NZSXPLSCXKHKLG-UHFFFAOYSA-N (CID 159931840) is [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

What is the SMILES notation for NZSXPLSCXKHKLG-UHFFFAOYSA-N?

The canonical SMILES for NZSXPLSCXKHKLG-UHFFFAOYSA-N is C[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.

What is the InChIKey of NZSXPLSCXKHKLG-UHFFFAOYSA-N?

The InChIKey is NZSXPLSCXKHKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClF6NO5PSi2.C15H8ClF6NO2/c1-40(2,3)11-9-36-39(35,37-10-12-41(4,5)6)38-22-8-7-19(26)16-21(22)23(34)33-20-14-17(24(27,28)29)13-18(15-20)25(30,31)32;16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h7-8,13-16H,9-12H2,1-6H3,(H,33,34);1-6,24H,(H,23,25).

What are the key properties of NZSXPLSCXKHKLG-UHFFFAOYSA-N?

NZSXPLSCXKHKLG-UHFFFAOYSA-N has a molecular weight of 1047.80 g/mol, XLogP of 15.16, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for NZSXPLSCXKHKLG-UHFFFAOYSA-N is sourced from PubChem (CID 159931840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159931840 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.