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

C21H15FN2O — CID 69455524

IUPAC5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccc(F)cc2)=NC1c1ccccc1
InChIInChI=1S/C21H15FN2O/c22-16-12-10-15(11-13-16)19-17-8-4-5-9-18(17)23-21(25)20(24-19)14-6-2-1-3-7-14/h1-13,20H,(H,23,25)
InChIKeyIGZCZJVFIPENEE-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.36
Rot. Bonds2

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

5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 69455524) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID69455524
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccc(F)cc2)=NC1c1ccccc1
InChIInChI=1S/C21H15FN2O/c22-16-12-10-15(11-13-16)19-17-8-4-5-9-18(17)23-21(25)20(24-19)14-6-2-1-3-7-14/h1-13,20H,(H,23,25)
InChIKeyIGZCZJVFIPENEE-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 69455524) is 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccc(F)cc2)=NC1c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is IGZCZJVFIPENEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-16-12-10-15(11-13-16)19-17-8-4-5-9-18(17)23-21(25)20(24-19)14-6-2-1-3-7-14/h1-13,20H,(H,23,25).
What are the key properties of 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 330.36 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 69455524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).