7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C23H18F4N2O — CID 174414795

IUPAC7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(F)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C23H18F4N2O/c1-2-13-6-8-15-20(11-13)29(19-5-3-4-16(21(15)19)22(28)30)12-14-7-9-18(24)17(10-14)23(25,26)27/h3-11H,2,12H2,1H3,(H2,28,30)
InChIKeyAGUDGACLRBNBLJ-UHFFFAOYSA-N
MW414.40 g/mol
LogP5.66
Rot. Bonds4

About 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 174414795) has the molecular formula C23H18F4N2O and a molecular weight of 414.40 g/mol. Its IUPAC name is 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID174414795
Molecular FormulaC23H18F4N2O
Molecular Weight414.40 g/mol
Exact Mass414.14
IUPAC Name7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(F)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C23H18F4N2O/c1-2-13-6-8-15-20(11-13)29(19-5-3-4-16(21(15)19)22(28)30)12-14-7-9-18(24)17(10-14)23(25,26)27/h3-11H,2,12H2,1H3,(H2,28,30)
InChIKeyAGUDGACLRBNBLJ-UHFFFAOYSA-N
XLogP5.66
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.40
LogP ≤ 55.66
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
7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235617
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
7-ethyl-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174414739
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
2-[5-carbamoyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propylcarbazol-4-yl]peroxyacetic acid
CID 151706582
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 174414795) is 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is CCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(F)c(C(F)(F)F)c3)c2c1.
What is the InChIKey of 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is AGUDGACLRBNBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O/c1-2-13-6-8-15-20(11-13)29(19-5-3-4-16(21(15)19)22(28)30)12-14-7-9-18(24)17(10-14)23(25,26)27/h3-11H,2,12H2,1H3,(H2,28,30).
What are the key properties of 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 414.40 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).