5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one

C19H13FN2O — CID 11779794

IUPAC5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2F)c2cc3ccccc3cc2N1
InChIInChI=1S/C19H13FN2O/c20-16-8-4-3-7-14(16)19-15-9-12-5-1-2-6-13(12)10-17(15)22-18(23)11-21-19/h1-10H,11H2,(H,22,23)
InChIKeyQCZRSIDHGYGKND-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.77
Rot. Bonds1

About 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one

5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one (PubChem CID 11779794) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one
PubChem CID11779794
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2F)c2cc3ccccc3cc2N1
InChIInChI=1S/C19H13FN2O/c20-16-8-4-3-7-14(16)19-15-9-12-5-1-2-6-13(12)10-17(15)22-18(23)11-21-19/h1-10H,11H2,(H,22,23)
InChIKeyQCZRSIDHGYGKND-UHFFFAOYSA-N
XLogP3.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.77
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-dihydrobenzo[h][1,4]benzodiazepin-2-one?
The IUPAC name of 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one (CID 11779794) is 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one is O=C1CN=C(c2ccccc2F)c2cc3ccccc3cc2N1.
What is the InChIKey of 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one?
The InChIKey is QCZRSIDHGYGKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c20-16-8-4-3-7-14(16)19-15-9-12-5-1-2-6-13(12)10-17(15)22-18(23)11-21-19/h1-10H,11H2,(H,22,23).
What are the key properties of 5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one?
5-(2-fluorophenyl)-1,3-dihydrobenzo[h][1,4]benzodiazepin-2-one has a molecular weight of 304.32 g/mol, XLogP of 3.77, 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-dihydrobenzo[h][1,4]benzodiazepin-2-one is sourced from PubChem (CID 11779794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).