7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C10H9FN2O2 — CID 658990

IUPAC7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccc(F)cc2C1=O
InChIInChI=1S/C10H9FN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeyBKHGZIQXTHAVNJ-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.85
Rot. Bonds

About 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 658990) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID658990
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccc(F)cc2C1=O
InChIInChI=1S/C10H9FN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeyBKHGZIQXTHAVNJ-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-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-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 658990) is 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1CC(=O)Nc2ccc(F)cc2C1=O.
What is the InChIKey of 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is BKHGZIQXTHAVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 208.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 658990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).