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

C22H17F3N2O2 — CID 22740787

IUPAC5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C22H17F3N2O2/c1-12-8-17-20(18(28)9-12)19-15(21(26)29)6-3-7-16(19)27(17)11-13-4-2-5-14(10-13)22(23,24)25/h2-10,28H,11H2,1H3,(H2,26,29)
InChIKeyQHIZLAPKKRMGCX-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.97
Rot. Bonds3

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

5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 22740787) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID22740787
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C22H17F3N2O2/c1-12-8-17-20(18(28)9-12)19-15(21(26)29)6-3-7-16(19)27(17)11-13-4-2-5-14(10-13)22(23,24)25/h2-10,28H,11H2,1H3,(H2,26,29)
InChIKeyQHIZLAPKKRMGCX-UHFFFAOYSA-N
XLogP4.97
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22738225
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235723
5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 22740496
2-[5-carbamoyl-2-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264357
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
9-ethyl-5-hydroxycarbazole-4-carboxamide
CID 59934183

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 22740787) is 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is QHIZLAPKKRMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-12-8-17-20(18(28)9-12)19-15(21(26)29)6-3-7-16(19)27(17)11-13-4-2-5-14(10-13)22(23,24)25/h2-10,28H,11H2,1H3,(H2,26,29).
What are the key properties of 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 22740787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).