4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C23H17F3N2O2 — CID 71183136

IUPAC4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18-9-6-16(7-10-18)17-8-11-20-19(12-17)22(30)28(14-21(29)27-20)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)
InChIKeyRDQOUFQBZLSFIE-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.97
Rot. Bonds3

About 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 71183136) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID71183136
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18-9-6-16(7-10-18)17-8-11-20-19(12-17)22(30)28(14-21(29)27-20)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)
InChIKeyRDQOUFQBZLSFIE-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 71183136) is 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is O=C1CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1.
What is the InChIKey of 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is RDQOUFQBZLSFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)18-9-6-16(7-10-18)17-8-11-20-19(12-17)22(30)28(14-21(29)27-20)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29).
What are the key properties of 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 410.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 71183136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).