7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione

C17H15ClN2O2 — CID 72941624

IUPAC7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione
SMILESCN1C(=O)C(=O)N(C)C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O2/c1-19-14-9-8-12(18)10-13(14)15(11-6-4-3-5-7-11)20(2)17(22)16(19)21/h3-10,15H,1-2H3
InChIKeyWKJQSJGQLLOTCI-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.86
Rot. Bonds1

About 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione

7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione (PubChem CID 72941624) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione.

Molecular Properties

Compound Name7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione
PubChem CID72941624
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione
SMILESCN1C(=O)C(=O)N(C)C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O2/c1-19-14-9-8-12(18)10-13(14)15(11-6-4-3-5-7-11)20(2)17(22)16(19)21/h3-10,15H,1-2H3
InChIKeyWKJQSJGQLLOTCI-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 56690292
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CID 11043888
5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one
CID 71728924
2-benzyl-5-chloro-3-phenyl-3H-isoindol-1-one
CID 132543851
7-chloro-3,10-dimethyl-5-phenyl-5H-[1,3]thiazolo[2,3-b]quinazolin-4-ium iodide
CID 45049730
(4E)-1-(5-chloro-2-methylphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108598770
6-chloro-1-oxido-2-phenyl-2H-indol-3-one
CID 101253591
3-(3,5-dichlorophenyl)-1-methyl-5-phenylimidazolidine-2,4-dione
CID 86820061
7-chloro-1-methyl-5-phenyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one
CID 21488623
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
CID 59051726
5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one
CID 11637842

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione?
The IUPAC name of 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione (CID 72941624) is 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione.
What is the SMILES notation for 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione?
The canonical SMILES for 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione is CN1C(=O)C(=O)N(C)C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione?
The InChIKey is WKJQSJGQLLOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-19-14-9-8-12(18)10-13(14)15(11-6-4-3-5-7-11)20(2)17(22)16(19)21/h3-10,15H,1-2H3.
What are the key properties of 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione?
7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione has a molecular weight of 314.77 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione is sourced from PubChem (CID 72941624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).