5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C17H15ClN2O2 — CID 2824987

IUPAC5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-10-16(21)19-14-8-4-5-9-15(14)20(11)17(22)12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyGLDJTIBYIWYOML-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.72
Rot. Bonds1

About 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 2824987) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID2824987
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-10-16(21)19-14-8-4-5-9-15(14)20(11)17(22)12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyGLDJTIBYIWYOML-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 2824987) is 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is CC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is GLDJTIBYIWYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-10-16(21)19-14-8-4-5-9-15(14)20(11)17(22)12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 314.77 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 2824987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).