4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C22H19FN2O — CID 56930705

IUPAC4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2CN(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O/c23-19-12-10-17(11-13-19)21-22(26)24-20-9-5-4-8-18(20)15-25(21)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,26)
InChIKeyOCRZWVVBMGSTFM-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.52
Rot. Bonds3

About 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 56930705) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID56930705
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2CN(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O/c23-19-12-10-17(11-13-19)21-22(26)24-20-9-5-4-8-18(20)15-25(21)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,26)
InChIKeyOCRZWVVBMGSTFM-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-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

Ro 4929097
CID 49867930
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
Cyclopeptine
CID 179574
Compound E
CID 11306390
(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide
CID 11454028
2-(((3,5-difluorophenyl)acetyl)amino)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide
CID 22312320
5-benzyl-3-fluoro-11H-benzo[b][1,4]benzodiazepin-6-one
CID 145946092
N-benzyl-2-methyl-N'-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-malonamide
CID 10002640
4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
CID 10408752
N-Cyclopropylmethyl-2-methyl-N'-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin 7-yl)-malonamide
CID 11257831
2-methyl-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-N'-(3,3,3-trifluoropropyl)propanediamide
CID 11305056
2-methyl-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 11396006

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 56930705) is 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2CN(Cc2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is OCRZWVVBMGSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c23-19-12-10-17(11-13-19)21-22(26)24-20-9-5-4-8-18(20)15-25(21)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,26).
What are the key properties of 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 346.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 56930705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).