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

C19H25F3N2O3 — CID 3991302

IUPACN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide
SMILESCC(C)CN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H25F3N2O3/c1-10(2)9-24-12-7-17(3,4)8-13(25)14(12)18(16(24)27,19(20,21)22)23-15(26)11-5-6-11/h10-11H,5-9H2,1-4H3,(H,23,26)
InChIKeyUEQFIKWMPCVDRE-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.96
Rot. Bonds4

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

N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide (PubChem CID 3991302) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide
PubChem CID3991302
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide
SMILESCC(C)CN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H25F3N2O3/c1-10(2)9-24-12-7-17(3,4)8-13(25)14(12)18(16(24)27,19(20,21)22)23-15(26)11-5-6-11/h10-11H,5-9H2,1-4H3,(H,23,26)
InChIKeyUEQFIKWMPCVDRE-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.96
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-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide (CID 3991302) is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide is CC(C)CN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide?
The InChIKey is UEQFIKWMPCVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-10(2)9-24-12-7-17(3,4)8-13(25)14(12)18(16(24)27,19(20,21)22)23-15(26)11-5-6-11/h10-11H,5-9H2,1-4H3,(H,23,26).
What are the key properties of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide?
N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide has a molecular weight of 386.41 g/mol, XLogP of 2.96, 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-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 3991302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).