7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione

C16H13FN2O2 — CID 67474813

IUPAC7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
SMILESCN1C(=O)CC(=O)N(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C16H13FN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeySTPPIMXEHGCVND-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.86
Rot. Bonds1

About 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione

7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione (PubChem CID 67474813) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
PubChem CID67474813
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
SMILESCN1C(=O)CC(=O)N(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C16H13FN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeySTPPIMXEHGCVND-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione (CID 67474813) is 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione is CN1C(=O)CC(=O)N(c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione?
The InChIKey is STPPIMXEHGCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione?
7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione has a molecular weight of 284.29 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-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 67474813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).