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

C19H13FN2O — CID 10040707

IUPAC1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one
SMILESO=C1CN=C(c2ccccc2F)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H13FN2O/c20-15-8-4-3-7-14(15)19-18-13-6-2-1-5-12(13)9-10-16(18)22-17(23)11-21-19/h1-10H,11H2,(H,22,23)
InChIKeyJHXZRSCPFDKXLJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.77
Rot. Bonds1

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

1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one (PubChem CID 10040707) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one
PubChem CID10040707
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one
SMILESO=C1CN=C(c2ccccc2F)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H13FN2O/c20-15-8-4-3-7-14(15)19-18-13-6-2-1-5-12(13)9-10-16(18)22-17(23)11-21-19/h1-10H,11H2,(H,22,23)
InChIKeyJHXZRSCPFDKXLJ-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 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
The IUPAC name of 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one (CID 10040707) is 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
The canonical SMILES for 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one is O=C1CN=C(c2ccccc2F)c2c(ccc3ccccc23)N1.
What is the InChIKey of 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
The InChIKey is JHXZRSCPFDKXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c20-15-8-4-3-7-14(15)19-18-13-6-2-1-5-12(13)9-10-16(18)22-17(23)11-21-19/h1-10H,11H2,(H,22,23).
What are the key properties of 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-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 1-(2-fluorophenyl)-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one is sourced from PubChem (CID 10040707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).