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

C15H11FN2O — CID 13292074

IUPAC5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2F)c2ccccc2N1
InChIInChI=1S/C15H11FN2O/c16-12-7-3-1-5-10(12)15-11-6-2-4-8-13(11)18-14(19)9-17-15/h1-8H,9H2,(H,18,19)
InChIKeyZFYAQIQNROJRTO-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.62
Rot. Bonds1

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

5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 13292074) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID13292074
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2F)c2ccccc2N1
InChIInChI=1S/C15H11FN2O/c16-12-7-3-1-5-10(12)15-11-6-2-4-8-13(11)18-14(19)9-17-15/h1-8H,9H2,(H,18,19)
InChIKeyZFYAQIQNROJRTO-UHFFFAOYSA-N
XLogP2.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 13292074) is 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2F)c2ccccc2N1.
What is the InChIKey of 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is ZFYAQIQNROJRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-7-3-1-5-10(12)15-11-6-2-4-8-13(11)18-14(19)9-17-15/h1-8H,9H2,(H,18,19).
What are the key properties of 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 254.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 13292074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).