7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine

C19H17F3N2 — CID 143036051

IUPAC7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine
SMILESCc1ccc(C2=CCCC(C(F)(F)F)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H17F3N2/c1-14-10-12-15(13-11-14)17-8-5-9-18(19(20,21)22)23-24(17)16-6-3-2-4-7-16/h2-4,6-8,10-13H,5,9H2,1H3
InChIKeyZBMJGAGNUSRNLE-UHFFFAOYSA-N
MW330.35 g/mol
LogP5.55
Rot. Bonds2

About 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine

7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine (PubChem CID 143036051) has the molecular formula C19H17F3N2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine.

Molecular Properties

Compound Name7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine
PubChem CID143036051
Molecular FormulaC19H17F3N2
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC Name7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine
SMILESCc1ccc(C2=CCCC(C(F)(F)F)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H17F3N2/c1-14-10-12-15(13-11-14)17-8-5-9-18(19(20,21)22)23-24(17)16-6-3-2-4-7-16/h2-4,6-8,10-13H,5,9H2,1H3
InChIKeyZBMJGAGNUSRNLE-UHFFFAOYSA-N
XLogP5.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 616747
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1-methyl-5-(4-methylphenyl)-2,3-dihydropyrrole
CID 102036789
1-methyl-3-[2-(4-methylphenyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]benzene
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5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
CID 7465761
(4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 7056156
bromo(trifluoro)methane;toluene
CID 162166956
3-(4-bromophenyl)-4-hydroxy-1,6-diphenyl-1,2,4λ5-diazaphosphinine 4-oxide
CID 134933123
1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene
CID 158493904
3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369982
2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide
CID 126956899

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine?
The IUPAC name of 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine (CID 143036051) is 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine.
What is the SMILES notation for 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine?
The canonical SMILES for 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine is Cc1ccc(C2=CCCC(C(F)(F)F)=NN2c2ccccc2)cc1.
What is the InChIKey of 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine?
The InChIKey is ZBMJGAGNUSRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2/c1-14-10-12-15(13-11-14)17-8-5-9-18(19(20,21)22)23-24(17)16-6-3-2-4-7-16/h2-4,6-8,10-13H,5,9H2,1H3.
What are the key properties of 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine?
7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine has a molecular weight of 330.35 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine is sourced from PubChem (CID 143036051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).