5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C16H11F3N2O — CID 16795

IUPAC5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)11-6-7-13-12(8-11)15(20-9-14(22)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)
InChIKeyUUBMOUNXQFMBQF-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.49
Rot. Bonds1

About 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one

5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 16795) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID16795
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)11-6-7-13-12(8-11)15(20-9-14(22)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)
InChIKeyUUBMOUNXQFMBQF-UHFFFAOYSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Aminoflunitrazepam
CID 92294
2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
CID 19011
RO-05-2921
CID 76175
7-Aminonitrazepam
CID 78641
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 613848
1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 1108855
5-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13336285
7-Chloro-5-(2,6-difluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 23275763
7-Acetamidonitrazepam
CID 96190
7-Aminonimetazepam
CID 23275339
Ro 5-3438
CID 193319

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 16795) is 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is UUBMOUNXQFMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)11-6-7-13-12(8-11)15(20-9-14(22)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22).
What are the key properties of 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 304.27 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 16795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).