4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C16H11F3N2O2 — CID 139668299

IUPAC4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc2N1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-5-7-11(8-6-10)21-9-14(22)20-13-4-2-1-3-12(13)15(21)23/h1-8H,9H2,(H,20,22)
InChIKeyILPHETHYEYLQPL-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.30
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 139668299) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID139668299
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc2N1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-5-7-11(8-6-10)21-9-14(22)20-13-4-2-1-3-12(13)15(21)23/h1-8H,9H2,(H,20,22)
InChIKeyILPHETHYEYLQPL-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668235
9-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668290
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 125489925
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
5-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 162534743
methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]-3H-isoindole-4-carboxylate
CID 67992519
4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
CID 28822379
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 2741734
(3E)-3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 22302892
1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 175783048

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 139668299) is 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is O=C1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc2N1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is ILPHETHYEYLQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)10-5-7-11(8-6-10)21-9-14(22)20-13-4-2-1-3-12(13)15(21)23/h1-8H,9H2,(H,20,22).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 320.27 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 139668299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).