5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide

C21H15F3N2O2 — CID 67567126

IUPAC5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c3c(Cc4cccc(C(F)(F)F)c4)ccc(O)c3c12
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)13-4-1-3-11(10-13)9-12-7-8-16(27)18-17-14(20(25)28)5-2-6-15(17)26-19(12)18/h1-8,10,26-27H,9H2,(H2,25,28)
InChIKeyHIXZOUQNFRLFFJ-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.74
Rot. Bonds3

About 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide

5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide (PubChem CID 67567126) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide
PubChem CID67567126
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c3c(Cc4cccc(C(F)(F)F)c4)ccc(O)c3c12
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)13-4-1-3-11(10-13)9-12-7-8-16(27)18-17-14(20(25)28)5-2-6-15(17)26-19(12)18/h1-8,10,26-27H,9H2,(H2,25,28)
InChIKeyHIXZOUQNFRLFFJ-UHFFFAOYSA-N
XLogP4.74
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(2-fluorophenyl)methyl]-5-hydroxy-9H-carbazole-4-carboxamide
CID 67567954
5-hydroxy-8-(pyridin-2-ylmethyl)-9H-carbazole-4-carboxamide
CID 67568148
5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22740787
7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22738225
2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
CID 22014955
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767549
4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one
CID 157261147
6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
CID 70280706
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 39997581
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide?
The IUPAC name of 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide (CID 67567126) is 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide is NC(=O)c1cccc2[nH]c3c(Cc4cccc(C(F)(F)F)c4)ccc(O)c3c12.
What is the InChIKey of 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide?
The InChIKey is HIXZOUQNFRLFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)13-4-1-3-11(10-13)9-12-7-8-16(27)18-17-14(20(25)28)5-2-6-15(17)26-19(12)18/h1-8,10,26-27H,9H2,(H2,25,28).
What are the key properties of 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide?
5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxamide is sourced from PubChem (CID 67567126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).