5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione

C16H15N2O2P — CID 155069590

IUPAC5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione
SMILESCPN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N2O2P/c1-21-18-14-10-6-5-9-13(14)17(15(19)11-16(18)20)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3
InChIKeyNWXSGSYEBZVFPU-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.31
Rot. Bonds2

About 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione

5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione (PubChem CID 155069590) has the molecular formula C16H15N2O2P and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione
PubChem CID155069590
Molecular FormulaC16H15N2O2P
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione
SMILESCPN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N2O2P/c1-21-18-14-10-6-5-9-13(14)17(15(19)11-16(18)20)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3
InChIKeyNWXSGSYEBZVFPU-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione (CID 155069590) is 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione is CPN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione?
The InChIKey is NWXSGSYEBZVFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O2P/c1-21-18-14-10-6-5-9-13(14)17(15(19)11-16(18)20)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3.
What are the key properties of 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione?
5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione has a molecular weight of 298.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylphosphanyl-1-phenyl-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 155069590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).