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

C22H17F3N2O — CID 174401716

IUPAC7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C22H17F3N2O/c1-13-9-10-15-19(11-13)27(18-8-4-6-16(20(15)18)21(26)28)12-14-5-2-3-7-17(14)22(23,24)25/h2-11H,12H2,1H3,(H2,26,28)
InChIKeyUTLMZKSOCFZMRB-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.27
Rot. Bonds3

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

7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174401716) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174401716
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C22H17F3N2O/c1-13-9-10-15-19(11-13)27(18-8-4-6-16(20(15)18)21(26)28)12-14-5-2-3-7-17(14)22(23,24)25/h2-11H,12H2,1H3,(H2,26,28)
InChIKeyUTLMZKSOCFZMRB-UHFFFAOYSA-N
XLogP5.27
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
2-[5-carbamoyl-2-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264357
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide
CID 174399462
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate
CID 90986809
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174414496
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 174401716) is 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is Cc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is UTLMZKSOCFZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-13-9-10-15-19(11-13)27(18-8-4-6-16(20(15)18)21(26)28)12-14-5-2-3-7-17(14)22(23,24)25/h2-11H,12H2,1H3,(H2,26,28).
What are the key properties of 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174401716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).