N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide

C20H19F3N2O3 — CID 46500720

IUPACN-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide
SMILESO=C1CCCC2=C1C(NC(=O)C1CC1)(C(F)(F)F)C(=O)N2Cc1ccccc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)19(24-17(27)13-9-10-13)16-14(7-4-8-15(16)26)25(18(19)28)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,24,27)
InChIKeyLTRNPMXTOZORST-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.86
Rot. Bonds4

About N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide

N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide (PubChem CID 46500720) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide
PubChem CID46500720
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide
SMILESO=C1CCCC2=C1C(NC(=O)C1CC1)(C(F)(F)F)C(=O)N2Cc1ccccc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)19(24-17(27)13-9-10-13)16-14(7-4-8-15(16)26)25(18(19)28)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,24,27)
InChIKeyLTRNPMXTOZORST-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-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-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide (CID 46500720) is N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide is O=C1CCCC2=C1C(NC(=O)C1CC1)(C(F)(F)F)C(=O)N2Cc1ccccc1.
What is the InChIKey of N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide?
The InChIKey is LTRNPMXTOZORST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)19(24-17(27)13-9-10-13)16-14(7-4-8-15(16)26)25(18(19)28)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,24,27).
What are the key properties of N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide?
N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide has a molecular weight of 392.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46500720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).