N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide

C18H23F3N2O4 — CID 16763962

IUPACN-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C(=O)N(CC2CCCO2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H23F3N2O4/c1-10(24)22-17(18(19,20)21)14-12(7-16(2,3)8-13(14)25)23(15(17)26)9-11-5-4-6-27-11/h11H,4-9H2,1-3H3,(H,22,24)
InChIKeyDAUKFMFYVDVXAL-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.09
Rot. Bonds3

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

N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide (PubChem CID 16763962) has the molecular formula C18H23F3N2O4 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
PubChem CID16763962
Molecular FormulaC18H23F3N2O4
Molecular Weight388.39 g/mol
Exact Mass388.16
IUPAC NameN-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C(=O)N(CC2CCCO2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H23F3N2O4/c1-10(24)22-17(18(19,20)21)14-12(7-16(2,3)8-13(14)25)23(15(17)26)9-11-5-4-6-27-11/h11H,4-9H2,1-3H3,(H,22,24)
InChIKeyDAUKFMFYVDVXAL-UHFFFAOYSA-N
XLogP2.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide (CID 16763962) is N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide is CC(=O)NC1(C(F)(F)F)C(=O)N(CC2CCCO2)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
The InChIKey is DAUKFMFYVDVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4/c1-10(24)22-17(18(19,20)21)14-12(7-16(2,3)8-13(14)25)23(15(17)26)9-11-5-4-6-27-11/h11H,4-9H2,1-3H3,(H,22,24).
What are the key properties of N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide has a molecular weight of 388.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 16763962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).