5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

C21H15FN2O — CID 154713283

IUPAC5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2-c2ccccc2F)c2ccccc2N1
InChIInChI=1S/C21H15FN2O/c22-18-11-5-3-8-15(18)14-7-1-2-9-16(14)21-17-10-4-6-12-19(17)24-20(25)13-23-21/h1-12H,13H2,(H,24,25)
InChIKeyRQWGFSPSIZARQB-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.28
Rot. Bonds2

About 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 154713283) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID154713283
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2-c2ccccc2F)c2ccccc2N1
InChIInChI=1S/C21H15FN2O/c22-18-11-5-3-8-15(18)14-7-1-2-9-16(14)21-17-10-4-6-12-19(17)24-20(25)13-23-21/h1-12H,13H2,(H,24,25)
InChIKeyRQWGFSPSIZARQB-UHFFFAOYSA-N
XLogP4.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Desalkylflurazepam
CID 4540
7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 12947024
7-Aminoflunitrazepam
CID 92294
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 5279172
Norflunitrazepam
CID 520217
RO-05-2921
CID 76175
7-Aminonitrazepam
CID 78641
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 613848
5-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13336285
5-(2-Fluorophenyl)-1-(1-methylpiperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13450650
1,3-Dihydro-5-phenyl-7-(trifluoromethyl)-2H-1,4-benzodiazepin-2-one
CID 16795

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 154713283) is 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2-c2ccccc2F)c2ccccc2N1.
What is the InChIKey of 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is RQWGFSPSIZARQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-18-11-5-3-8-15(18)14-7-1-2-9-16(14)21-17-10-4-6-12-19(17)24-20(25)13-23-21/h1-12H,13H2,(H,24,25).
What are the key properties of 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one?
5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 330.36 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 154713283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).