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

C17H15FN2O — CID 23275641

IUPAC7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCc1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2
InChIInChI=1S/C17H15FN2O/c1-2-11-7-8-15-13(9-11)17(19-10-16(21)20-15)12-5-3-4-6-14(12)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyYGYDYNQLQNBIFE-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.18
Rot. Bonds2

About 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 23275641) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID23275641
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCc1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2
InChIInChI=1S/C17H15FN2O/c1-2-11-7-8-15-13(9-11)17(19-10-16(21)20-15)12-5-3-4-6-14(12)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyYGYDYNQLQNBIFE-UHFFFAOYSA-N
XLogP3.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 23275641) is 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is CCc1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2.
What is the InChIKey of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is YGYDYNQLQNBIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-11-7-8-15-13(9-11)17(19-10-16(21)20-15)12-5-3-4-6-14(12)18/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 282.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23275641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).