7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C23H19F3N2O — CID 174414256

IUPAC7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C23H19F3N2O/c1-2-14-10-11-16-20(12-14)28(19-9-5-7-17(21(16)19)22(27)29)13-15-6-3-4-8-18(15)23(24,25)26/h3-12H,2,13H2,1H3,(H2,27,29)
InChIKeyMPUAFTMKQBBKQG-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.52
Rot. Bonds4

About 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174414256) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174414256
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C23H19F3N2O/c1-2-14-10-11-16-20(12-14)28(19-9-5-7-17(21(16)19)22(27)29)13-15-6-3-4-8-18(15)23(24,25)26/h3-12H,2,13H2,1H3,(H2,27,29)
InChIKeyMPUAFTMKQBBKQG-UHFFFAOYSA-N
XLogP5.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 174414256) is 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is CCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is MPUAFTMKQBBKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-2-14-10-11-16-20(12-14)28(19-9-5-7-17(21(16)19)22(27)29)13-15-6-3-4-8-18(15)23(24,25)26/h3-12H,2,13H2,1H3,(H2,27,29).
What are the key properties of 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).