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

C17H23F3N2O3 — CID 46500737

IUPACN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
SMILESCCCCN1C(=O)C(NC(C)=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C17H23F3N2O3/c1-5-6-7-22-11-8-15(3,4)9-12(24)13(11)16(14(22)25,17(18,19)20)21-10(2)23/h5-9H2,1-4H3,(H,21,23)
InChIKeyVKDVSGWKFNUSMY-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.71
Rot. Bonds4

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

N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide (PubChem CID 46500737) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
PubChem CID46500737
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide
SMILESCCCCN1C(=O)C(NC(C)=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C17H23F3N2O3/c1-5-6-7-22-11-8-15(3,4)9-12(24)13(11)16(14(22)25,17(18,19)20)21-10(2)23/h5-9H2,1-4H3,(H,21,23)
InChIKeyVKDVSGWKFNUSMY-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide (CID 46500737) is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide is CCCCN1C(=O)C(NC(C)=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
The InChIKey is VKDVSGWKFNUSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-5-6-7-22-11-8-15(3,4)9-12(24)13(11)16(14(22)25,17(18,19)20)21-10(2)23/h5-9H2,1-4H3,(H,21,23).
What are the key properties of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide?
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 46500737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).