1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C16H13FN2O2 — CID 79909849

IUPAC1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H13FN2O2/c17-12-7-5-11(6-8-12)10-19-14-4-2-1-3-13(14)16(21)18-9-15(19)20/h1-8H,9-10H2,(H,18,21)
InChIKeyZHMGUVLFRLUMMJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.10
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79909849) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79909849
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H13FN2O2/c17-12-7-5-11(6-8-12)10-19-14-4-2-1-3-13(14)16(21)18-9-15(19)20/h1-8H,9-10H2,(H,18,21)
InChIKeyZHMGUVLFRLUMMJ-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3282435
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910104
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474972
1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 4573481
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910370
1-[3-(2-chlorophenoxy)propyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 4288875
1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 83169240
1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909619
1-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65365317
7-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183642

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79909849) is 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is O=C1NCC(=O)N(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is ZHMGUVLFRLUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-7-5-11(6-8-12)10-19-14-4-2-1-3-13(14)16(21)18-9-15(19)20/h1-8H,9-10H2,(H,18,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 284.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79909849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).