9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C21H14F4N2O — CID 174414273

IUPAC9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccccc1n2Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C21H14F4N2O/c22-16-8-4-7-15(21(23,24)25)14(16)11-27-17-9-2-1-5-12(17)19-13(20(26)28)6-3-10-18(19)27/h1-10H,11H2,(H2,26,28)
InChIKeyWYSHXMSRNQUPHW-UHFFFAOYSA-N
MW386.35 g/mol
LogP5.10
Rot. Bonds3

About 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174414273) has the molecular formula C21H14F4N2O and a molecular weight of 386.35 g/mol. Its IUPAC name is 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174414273
Molecular FormulaC21H14F4N2O
Molecular Weight386.35 g/mol
Exact Mass386.10
IUPAC Name9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccccc1n2Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C21H14F4N2O/c22-16-8-4-7-15(21(23,24)25)14(16)11-27-17-9-2-1-5-12(17)19-13(20(26)28)6-3-10-18(19)27/h1-10H,11H2,(H2,26,28)
InChIKeyWYSHXMSRNQUPHW-UHFFFAOYSA-N
XLogP5.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 174414273) is 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccccc1n2Cc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is WYSHXMSRNQUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O/c22-16-8-4-7-15(21(23,24)25)14(16)11-27-17-9-2-1-5-12(17)19-13(20(26)28)6-3-10-18(19)27/h1-10H,11H2,(H2,26,28).
What are the key properties of 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 386.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).