9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide

C24H20F4N2O — CID 174414518

IUPAC9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(C(F)(F)F)ccc3F)c2c1
InChIInChI=1S/C24H20F4N2O/c1-2-4-14-7-9-17-21(11-14)30(20-6-3-5-18(22(17)20)23(29)31)13-15-12-16(24(26,27)28)8-10-19(15)25/h3,5-12H,2,4,13H2,1H3,(H2,29,31)
InChIKeyCAVKEIOAFJKIBS-UHFFFAOYSA-N
MW428.43 g/mol
LogP6.05
Rot. Bonds5

About 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide

9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide (PubChem CID 174414518) has the molecular formula C24H20F4N2O and a molecular weight of 428.43 g/mol. Its IUPAC name is 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
PubChem CID174414518
Molecular FormulaC24H20F4N2O
Molecular Weight428.43 g/mol
Exact Mass428.15
IUPAC Name9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(C(F)(F)F)ccc3F)c2c1
InChIInChI=1S/C24H20F4N2O/c1-2-4-14-7-9-17-21(11-14)30(20-6-3-5-18(22(17)20)23(29)31)13-15-12-16(24(26,27)28)8-10-19(15)25/h3,5-12H,2,4,13H2,1H3,(H2,29,31)
InChIKeyCAVKEIOAFJKIBS-UHFFFAOYSA-N
XLogP6.05
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174401684
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414660
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795
9-[(4-iodophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 175235723
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
2-[5-carbamoyl-2-ethyl-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 70242409

Frequently Asked Questions

What is the IUPAC name of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
The IUPAC name of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide (CID 174414518) is 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
The canonical SMILES for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide is CCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(C(F)(F)F)ccc3F)c2c1.
What is the InChIKey of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
The InChIKey is CAVKEIOAFJKIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O/c1-2-4-14-7-9-17-21(11-14)30(20-6-3-5-18(22(17)20)23(29)31)13-15-12-16(24(26,27)28)8-10-19(15)25/h3,5-12H,2,4,13H2,1H3,(H2,29,31).
What are the key properties of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide?
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide is sourced from PubChem (CID 174414518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).