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

C28H20F4N2O2 — CID 174414660

IUPAC9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4cc(C(F)(F)F)ccc4F)c3c2)cc1
InChIInChI=1S/C28H20F4N2O2/c1-36-20-9-5-16(6-10-20)17-7-11-21-25(14-17)34(24-4-2-3-22(26(21)24)27(33)35)15-18-13-19(28(30,31)32)8-12-23(18)29/h2-14H,15H2,1H3,(H2,33,35)
InChIKeyABILPPOHYHLSKA-UHFFFAOYSA-N
MW492.47 g/mol
LogP6.78
Rot. Bonds5

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

9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (PubChem CID 174414660) has the molecular formula C28H20F4N2O2 and a molecular weight of 492.47 g/mol. Its IUPAC name is 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
PubChem CID174414660
Molecular FormulaC28H20F4N2O2
Molecular Weight492.47 g/mol
Exact Mass492.15
IUPAC Name9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4cc(C(F)(F)F)ccc4F)c3c2)cc1
InChIInChI=1S/C28H20F4N2O2/c1-36-20-9-5-16(6-10-20)17-7-11-21-25(14-17)34(24-4-2-3-22(26(21)24)27(33)35)15-18-13-19(28(30,31)32)8-12-23(18)29/h2-14H,15H2,1H3,(H2,33,35)
InChIKeyABILPPOHYHLSKA-UHFFFAOYSA-N
XLogP6.78
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174401684
9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174417521
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414302
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547

Frequently Asked Questions

What is the IUPAC name of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (CID 174414660) is 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is COc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4cc(C(F)(F)F)ccc4F)c3c2)cc1.
What is the InChIKey of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The InChIKey is ABILPPOHYHLSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N2O2/c1-36-20-9-5-16(6-10-20)17-7-11-21-25(14-17)34(24-4-2-3-22(26(21)24)27(33)35)15-18-13-19(28(30,31)32)8-12-23(18)29/h2-14H,15H2,1H3,(H2,33,35).
What are the key properties of 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide has a molecular weight of 492.47 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).