3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one

C18H15F3N2O — CID 57186205

IUPAC3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(F)(F)F)cc2C1=Cc1c[nH]c2c1CCCC2
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)11-5-6-16-13(8-11)14(17(24)23-16)7-10-9-22-15-4-2-1-3-12(10)15/h5-9,22H,1-4H2,(H,23,24)
InChIKeyQEIXEZFSAHQQGB-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.41
Rot. Bonds1

About 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one

3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one (PubChem CID 57186205) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one
PubChem CID57186205
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(F)(F)F)cc2C1=Cc1c[nH]c2c1CCCC2
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)11-5-6-16-13(8-11)14(17(24)23-16)7-10-9-22-15-4-2-1-3-12(10)15/h5-9,22H,1-4H2,(H,23,24)
InChIKeyQEIXEZFSAHQQGB-UHFFFAOYSA-N
XLogP4.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one
CID 57163438
3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one
CID 57136694
7-fluoro-3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 57198727
3-(4,5,6,7-tetrahydro-1H-inden-2-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one
CID 57074077
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylidene]-5-iodo-1H-indol-2-one
CID 57011330
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955415
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
3-[(2-fluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57305075
3-[(2,4-difluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57050513
(3E)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-carboxylic acid
CID 177410652
(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one
CID 126112448

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one (CID 57186205) is 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2ccc(C(F)(F)F)cc2C1=Cc1c[nH]c2c1CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is QEIXEZFSAHQQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)11-5-6-16-13(8-11)14(17(24)23-16)7-10-9-22-15-4-2-1-3-12(10)15/h5-9,22H,1-4H2,(H,23,24).
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one?
3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 332.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 57186205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).