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

C19H25F3N2O3 — CID 5060415

IUPACN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide
SMILESCCCCN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H25F3N2O3/c1-4-5-8-24-12-9-17(2,3)10-13(25)14(12)18(16(24)27,19(20,21)22)23-15(26)11-6-7-11/h11H,4-10H2,1-3H3,(H,23,26)
InChIKeyQOWNJJYHBGNUOO-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.10
Rot. Bonds5

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

N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide (PubChem CID 5060415) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide
PubChem CID5060415
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide
SMILESCCCCN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H25F3N2O3/c1-4-5-8-24-12-9-17(2,3)10-13(25)14(12)18(16(24)27,19(20,21)22)23-15(26)11-6-7-11/h11H,4-10H2,1-3H3,(H,23,26)
InChIKeyQOWNJJYHBGNUOO-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide 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-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide (CID 5060415) is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide is CCCCN1C(=O)C(NC(=O)C2CC2)(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]cyclopropanecarboxamide?
The InChIKey is QOWNJJYHBGNUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-4-5-8-24-12-9-17(2,3)10-13(25)14(12)18(16(24)27,19(20,21)22)23-15(26)11-6-7-11/h11H,4-10H2,1-3H3,(H,23,26).
What are the key properties of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide?
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclopropanecarboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.10, 5 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]cyclopropanecarboxamide is sourced from PubChem (CID 5060415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).