5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one

C19H13FN2OS — CID 15167772

IUPAC5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2F)=NC1c1ccsc1
InChIInChI=1S/C19H13FN2OS/c20-15-7-3-1-5-13(15)18-14-6-2-4-8-16(14)21-19(23)17(22-18)12-9-10-24-11-12/h1-11,17H,(H,21,23)
InChIKeyBROFGDYGYPYIGK-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.42
Rot. Bonds2

About 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one

5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 15167772) has the molecular formula C19H13FN2OS and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID15167772
Molecular FormulaC19H13FN2OS
Molecular Weight336.39 g/mol
Exact Mass336.07
IUPAC Name5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2F)=NC1c1ccsc1
InChIInChI=1S/C19H13FN2OS/c20-15-7-3-1-5-13(15)18-14-6-2-4-8-16(14)21-19(23)17(22-18)12-9-10-24-11-12/h1-11,17H,(H,21,23)
InChIKeyBROFGDYGYPYIGK-UHFFFAOYSA-N
XLogP4.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 15167772) is 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2F)=NC1c1ccsc1.
What is the InChIKey of 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is BROFGDYGYPYIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2OS/c20-15-7-3-1-5-13(15)18-14-6-2-4-8-16(14)21-19(23)17(22-18)12-9-10-24-11-12/h1-11,17H,(H,21,23).
What are the key properties of 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 336.39 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 15167772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).