7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione

C18H12F2N2O3 — CID 11371273

IUPAC7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione
SMILESCN1C2=C(C(=O)OC2=O)N(c2ccc(F)cc2)Cc2cc(F)ccc21
InChIInChI=1S/C18H12F2N2O3/c1-21-14-7-4-12(20)8-10(14)9-22(13-5-2-11(19)3-6-13)16-15(21)17(23)25-18(16)24/h2-8H,9H2,1H3
InChIKeyYSKWPGYJLHQGSN-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.72
Rot. Bonds1

About 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione

7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione (PubChem CID 11371273) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione.

Molecular Properties

Compound Name7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione
PubChem CID11371273
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione
SMILESCN1C2=C(C(=O)OC2=O)N(c2ccc(F)cc2)Cc2cc(F)ccc21
InChIInChI=1S/C18H12F2N2O3/c1-21-14-7-4-12(20)8-10(14)9-22(13-5-2-11(19)3-6-13)16-15(21)17(23)25-18(16)24/h2-8H,9H2,1H3
InChIKeyYSKWPGYJLHQGSN-UHFFFAOYSA-N
XLogP2.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-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 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
The IUPAC name of 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione (CID 11371273) is 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione.
What is the SMILES notation for 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
The canonical SMILES for 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione is CN1C2=C(C(=O)OC2=O)N(c2ccc(F)cc2)Cc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
The InChIKey is YSKWPGYJLHQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c1-21-14-7-4-12(20)8-10(14)9-22(13-5-2-11(19)3-6-13)16-15(21)17(23)25-18(16)24/h2-8H,9H2,1H3.
What are the key properties of 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione?
7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione has a molecular weight of 342.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(4-fluorophenyl)-10-methyl-5H-furo[3,4-b][1,4]benzodiazepine-1,3-dione is sourced from PubChem (CID 11371273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).