N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide

C26H24F4N2O3 — CID 3272196

IUPACN-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide
SMILESCC(c1ccccc1)N1C(=O)C(NC(=O)c2ccc(F)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C26H24F4N2O3/c1-15(16-7-5-4-6-8-16)32-19-13-24(2,3)14-20(33)21(19)25(23(32)35,26(28,29)30)31-22(34)17-9-11-18(27)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,31,34)
InChIKeyPYBIVMQQUMNHIC-UHFFFAOYSA-N
MW488.48 g/mol
LogP5.10
Rot. Bonds4

About N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide

N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide (PubChem CID 3272196) has the molecular formula C26H24F4N2O3 and a molecular weight of 488.48 g/mol. Its IUPAC name is N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide
PubChem CID3272196
Molecular FormulaC26H24F4N2O3
Molecular Weight488.48 g/mol
Exact Mass488.17
IUPAC NameN-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide
SMILESCC(c1ccccc1)N1C(=O)C(NC(=O)c2ccc(F)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C26H24F4N2O3/c1-15(16-7-5-4-6-8-16)32-19-13-24(2,3)14-20(33)21(19)25(23(32)35,26(28,29)30)31-22(34)17-9-11-18(27)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,31,34)
InChIKeyPYBIVMQQUMNHIC-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide (CID 3272196) is N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide is CC(c1ccccc1)N1C(=O)C(NC(=O)c2ccc(F)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide?
The InChIKey is PYBIVMQQUMNHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N2O3/c1-15(16-7-5-4-6-8-16)32-19-13-24(2,3)14-20(33)21(19)25(23(32)35,26(28,29)30)31-22(34)17-9-11-18(27)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,31,34).
What are the key properties of N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide?
N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide has a molecular weight of 488.48 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 3272196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).