4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione

C13H9ClFN3O3 — CID 61358697

IUPAC4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione
SMILESCCc1nnc(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)o1
InChIInChI=1S/C13H9ClFN3O3/c1-2-8-16-17-9(21-8)5-18-11-7(15)4-3-6(14)10(11)12(19)13(18)20/h3-4H,2,5H2,1H3
InChIKeyNGTDLKVBTBXLRI-UHFFFAOYSA-N
MW309.68 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione

4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione (PubChem CID 61358697) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione
PubChem CID61358697
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Name4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione
SMILESCCc1nnc(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)o1
InChIInChI=1S/C13H9ClFN3O3/c1-2-8-16-17-9(21-8)5-18-11-7(15)4-3-6(14)10(11)12(19)13(18)20/h3-4H,2,5H2,1H3
InChIKeyNGTDLKVBTBXLRI-UHFFFAOYSA-N
XLogP2.15
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione 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 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione?
The IUPAC name of 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione (CID 61358697) is 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione?
The canonical SMILES for 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione is CCc1nnc(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)o1.
What is the InChIKey of 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione?
The InChIKey is NGTDLKVBTBXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c1-2-8-16-17-9(21-8)5-18-11-7(15)4-3-6(14)10(11)12(19)13(18)20/h3-4H,2,5H2,1H3.
What are the key properties of 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione?
4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione has a molecular weight of 309.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione is sourced from PubChem (CID 61358697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).