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

C23H19F3N2O2 — CID 22738225

IUPAC7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C23H19F3N2O2/c1-2-13-10-18-21(19(29)11-13)20-16(22(27)30)7-4-8-17(20)28(18)12-14-5-3-6-15(9-14)23(24,25)26/h3-11,29H,2,12H2,1H3,(H2,27,30)
InChIKeyUUQHLSRAOVICGH-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.23
Rot. Bonds4

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

7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 22738225) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID22738225
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C23H19F3N2O2/c1-2-13-10-18-21(19(29)11-13)20-16(22(27)30)7-4-8-17(20)28(18)12-14-5-3-6-15(9-14)23(24,25)26/h3-11,29H,2,12H2,1H3,(H2,27,30)
InChIKeyUUQHLSRAOVICGH-UHFFFAOYSA-N
XLogP5.23
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22740787
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795
2-[5-carbamoyl-2-ethyl-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 70242409
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 22740496
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 22738225) is 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is CCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is UUQHLSRAOVICGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-2-13-10-18-21(19(29)11-13)20-16(22(27)30)7-4-8-17(20)28(18)12-14-5-3-6-15(9-14)23(24,25)26/h3-11,29H,2,12H2,1H3,(H2,27,30).
What are the key properties of 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 22738225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).