1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one

C25H16F3NO — CID 67819457

IUPAC1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3c(-c4ccc(C(F)(F)F)cc4)ccc(c23)N1Cc1ccccc1
InChIInChI=1S/C25H16F3NO/c26-25(27,28)18-11-9-17(10-12-18)19-13-14-22-23-20(19)7-4-8-21(23)24(30)29(22)15-16-5-2-1-3-6-16/h1-14H,15H2
InChIKeyCQVZGNKDDBPXLQ-UHFFFAOYSA-N
MW403.40 g/mol
LogP6.69
Rot. Bonds3

About 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one

1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one (PubChem CID 67819457) has the molecular formula C25H16F3NO and a molecular weight of 403.40 g/mol. Its IUPAC name is 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one
PubChem CID67819457
Molecular FormulaC25H16F3NO
Molecular Weight403.40 g/mol
Exact Mass403.12
IUPAC Name1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3c(-c4ccc(C(F)(F)F)cc4)ccc(c23)N1Cc1ccccc1
InChIInChI=1S/C25H16F3NO/c26-25(27,28)18-11-9-17(10-12-18)19-13-14-22-23-20(19)7-4-8-21(23)24(30)29(22)15-16-5-2-1-3-6-16/h1-14H,15H2
InChIKeyCQVZGNKDDBPXLQ-UHFFFAOYSA-N
XLogP6.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one?
The IUPAC name of 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one (CID 67819457) is 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one is O=C1c2cccc3c(-c4ccc(C(F)(F)F)cc4)ccc(c23)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one?
The InChIKey is CQVZGNKDDBPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3NO/c26-25(27,28)18-11-9-17(10-12-18)19-13-14-22-23-20(19)7-4-8-21(23)24(30)29(22)15-16-5-2-1-3-6-16/h1-14H,15H2.
What are the key properties of 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one?
1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one has a molecular weight of 403.40 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[4-(trifluoromethyl)phenyl]benzo[cd]indol-2-one is sourced from PubChem (CID 67819457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).