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

C18H18N2O2 — CID 708826

IUPAC1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC(=O)N1CCC(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-14(21)19-12-11-18(22)20(13-15-7-3-2-4-8-15)17-10-6-5-9-16(17)19/h2-10H,11-13H2,1H3
InChIKeyDSNNWAXKLWHJRH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.98
Rot. Bonds2

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

1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 708826) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID708826
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC(=O)N1CCC(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-14(21)19-12-11-18(22)20(13-15-7-3-2-4-8-15)17-10-6-5-9-16(17)19/h2-10H,11-13H2,1H3
InChIKeyDSNNWAXKLWHJRH-UHFFFAOYSA-N
XLogP2.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 708826) is 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one is CC(=O)N1CCC(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is DSNNWAXKLWHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14(21)19-12-11-18(22)20(13-15-7-3-2-4-8-15)17-10-6-5-9-16(17)19/h2-10H,11-13H2,1H3.
What are the key properties of 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one?
1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 294.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 708826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).