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

C17H13FN2O2 — CID 23275854

IUPAC7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCC(=O)c1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2
InChIInChI=1S/C17H13FN2O2/c1-10(21)11-6-7-15-13(8-11)17(19-9-16(22)20-15)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyYIKGZSNQIIUVSI-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.82
Rot. Bonds2

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

7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 23275854) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID23275854
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCC(=O)c1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2
InChIInChI=1S/C17H13FN2O2/c1-10(21)11-6-7-15-13(8-11)17(19-9-16(22)20-15)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyYIKGZSNQIIUVSI-UHFFFAOYSA-N
XLogP2.82
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 23275854) is 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is CC(=O)c1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2.
What is the InChIKey of 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is YIKGZSNQIIUVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-10(21)11-6-7-15-13(8-11)17(19-9-16(22)20-15)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 296.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23275854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).