6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

C20H16ClF3N6O2 — CID 58039489

IUPAC6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Nc3nc(NCc4ccc(Cl)cc4)nc(OCC(F)(F)F)n3)cc2N1
InChIInChI=1S/C20H16ClF3N6O2/c21-13-4-1-11(2-5-13)9-25-17-28-18(30-19(29-17)32-10-20(22,23)24)26-14-6-3-12-7-16(31)27-15(12)8-14/h1-6,8H,7,9-10H2,(H,27,31)(H2,25,26,28,29,30)
InChIKeyRXTSWVZYVSKUSC-UHFFFAOYSA-N
MW464.84 g/mol
LogP4.32
Rot. Bonds7

About 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 58039489) has the molecular formula C20H16ClF3N6O2 and a molecular weight of 464.84 g/mol. Its IUPAC name is 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID58039489
Molecular FormulaC20H16ClF3N6O2
Molecular Weight464.84 g/mol
Exact Mass464.10
IUPAC Name6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Nc3nc(NCc4ccc(Cl)cc4)nc(OCC(F)(F)F)n3)cc2N1
InChIInChI=1S/C20H16ClF3N6O2/c21-13-4-1-11(2-5-13)9-25-17-28-18(30-19(29-17)32-10-20(22,23)24)26-14-6-3-12-7-16(31)27-15(12)8-14/h1-6,8H,7,9-10H2,(H,27,31)(H2,25,26,28,29,30)
InChIKeyRXTSWVZYVSKUSC-UHFFFAOYSA-N
XLogP4.32
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.84
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (CID 58039489) is 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2ccc(Nc3nc(NCc4ccc(Cl)cc4)nc(OCC(F)(F)F)n3)cc2N1.
What is the InChIKey of 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is RXTSWVZYVSKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N6O2/c21-13-4-1-11(2-5-13)9-25-17-28-18(30-19(29-17)32-10-20(22,23)24)26-14-6-3-12-7-16(31)27-15(12)8-14/h1-6,8H,7,9-10H2,(H,27,31)(H2,25,26,28,29,30).
What are the key properties of 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 464.84 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(4-chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58039489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).