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

C21H15F3N2O2 — CID 22738657

IUPAC5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)13-5-1-4-12(10-13)11-26-15-7-2-6-14(20(25)28)18(15)19-16(26)8-3-9-17(19)27/h1-10,27H,11H2,(H2,25,28)
InChIKeyTUWSXUGAOWLTNQ-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.67
Rot. Bonds3

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

5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 22738657) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID22738657
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)13-5-1-4-12(10-13)11-26-15-7-2-6-14(20(25)28)18(15)19-16(26)8-3-9-17(19)27/h1-10,27H,11H2,(H2,25,28)
InChIKeyTUWSXUGAOWLTNQ-UHFFFAOYSA-N
XLogP4.67
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 22738657) is 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is TUWSXUGAOWLTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)13-5-1-4-12(10-13)11-26-15-7-2-6-14(20(25)28)18(15)19-16(26)8-3-9-17(19)27/h1-10,27H,11H2,(H2,25,28).
What are the key properties of 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 22738657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).