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

C18H23F3N2O3 — CID 46500717

IUPACN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H23F3N2O3/c1-6-13(25)22-17(18(19,20)21)14-11(7-16(4,5)8-12(14)24)23(15(17)26)9-10(2)3/h6,10H,1,7-9H2,2-5H3,(H,22,25)
InChIKeyNFJCQZBTTAROPM-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.73
Rot. Bonds4

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

N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide (PubChem CID 46500717) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide
PubChem CID46500717
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H23F3N2O3/c1-6-13(25)22-17(18(19,20)21)14-11(7-16(4,5)8-12(14)24)23(15(17)26)9-10(2)3/h6,10H,1,7-9H2,2-5H3,(H,22,25)
InChIKeyNFJCQZBTTAROPM-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]prop-2-enamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide (CID 46500717) is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide is C=CC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide?
The InChIKey is NFJCQZBTTAROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-6-13(25)22-17(18(19,20)21)14-11(7-16(4,5)8-12(14)24)23(15(17)26)9-10(2)3/h6,10H,1,7-9H2,2-5H3,(H,22,25).
What are the key properties of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide?
N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]prop-2-enamide has a molecular weight of 372.39 g/mol, XLogP of 2.73, 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]prop-2-enamide is sourced from PubChem (CID 46500717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).