1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one

C18H16N2O3 — CID 702388

IUPAC1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC(=O)N1CCC(=O)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-13(21)19-12-11-17(22)20(16-10-6-5-9-15(16)19)18(23)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyNVSOBVYSQKWGBB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds1

About 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one

1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 702388) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID702388
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC(=O)N1CCC(=O)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-13(21)19-12-11-17(22)20(16-10-6-5-9-15(16)19)18(23)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyNVSOBVYSQKWGBB-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4048075
1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4022666
1-acetyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 702392
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540
[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1,3-diacetyl-1,3-diazinane-2,4-dione
CID 54212586
1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
CID 170985681
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one
CID 139224777
1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one
CID 681703

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 702388) is 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one is CC(=O)N1CCC(=O)N(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is NVSOBVYSQKWGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13(21)19-12-11-17(22)20(16-10-6-5-9-15(16)19)18(23)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one?
1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 702388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).