4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine

C17H17FN2 — CID 12909694

IUPAC4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2ccccc2CC(c2ccccc2F)N1C
InChIInChI=1S/C17H17FN2/c1-12-19-16-10-6-3-7-13(16)11-17(20(12)2)14-8-4-5-9-15(14)18/h3-10,17H,11H2,1-2H3
InChIKeyRURMSXBJBLKGND-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.10
Rot. Bonds1

About 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine

4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12909694) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID12909694
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2ccccc2CC(c2ccccc2F)N1C
InChIInChI=1S/C17H17FN2/c1-12-19-16-10-6-3-7-13(16)11-17(20(12)2)14-8-4-5-9-15(14)18/h3-10,17H,11H2,1-2H3
InChIKeyRURMSXBJBLKGND-UHFFFAOYSA-N
XLogP4.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine 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-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine (CID 12909694) is 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine is CC1=Nc2ccccc2CC(c2ccccc2F)N1C.
What is the InChIKey of 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is RURMSXBJBLKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12-19-16-10-6-3-7-13(16)11-17(20(12)2)14-8-4-5-9-15(14)18/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 268.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12909694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).