5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C26H25F3N2O2 — CID 22738486

IUPAC5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C26H25F3N2O2/c1-2-3-4-7-16-13-21-24(22(32)14-16)23-19(25(30)33)10-6-11-20(23)31(21)15-17-8-5-9-18(12-17)26(27,28)29/h5-6,8-14,32H,2-4,7,15H2,1H3,(H2,30,33)
InChIKeyGWJFDWTXBATSQR-UHFFFAOYSA-N
MW454.49 g/mol
LogP6.40
Rot. Bonds7

About 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 22738486) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID22738486
Molecular FormulaC26H25F3N2O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C26H25F3N2O2/c1-2-3-4-7-16-13-21-24(22(32)14-16)23-19(25(30)33)10-6-11-20(23)31(21)15-17-8-5-9-18(12-17)26(27,28)29/h5-6,8-14,32H,2-4,7,15H2,1H3,(H2,30,33)
InChIKeyGWJFDWTXBATSQR-UHFFFAOYSA-N
XLogP6.40
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide 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 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 22738486) is 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is CCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is GWJFDWTXBATSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O2/c1-2-3-4-7-16-13-21-24(22(32)14-16)23-19(25(30)33)10-6-11-20(23)31(21)15-17-8-5-9-18(12-17)26(27,28)29/h5-6,8-14,32H,2-4,7,15H2,1H3,(H2,30,33).
What are the key properties of 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-pentyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 22738486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).