9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide

C22H20N2O2 — CID 22739095

IUPAC9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
SMILESCc1cc(C)cc(Cn2c3cccc(O)c3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C22H20N2O2/c1-13-9-14(2)11-15(10-13)12-24-17-6-3-5-16(22(23)26)20(17)21-18(24)7-4-8-19(21)25/h3-11,25H,12H2,1-2H3,(H2,23,26)
InChIKeyXCPQDLGZHDLIOI-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.26
Rot. Bonds3

About 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide

9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide (PubChem CID 22739095) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
PubChem CID22739095
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
SMILESCc1cc(C)cc(Cn2c3cccc(O)c3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C22H20N2O2/c1-13-9-14(2)11-15(10-13)12-24-17-6-3-5-16(22(23)26)20(17)21-18(24)7-4-8-19(21)25/h3-11,25H,12H2,1-2H3,(H2,23,26)
InChIKeyXCPQDLGZHDLIOI-UHFFFAOYSA-N
XLogP4.26
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401035
5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22740787
9-ethyl-5-hydroxycarbazole-4-carboxamide
CID 59934183
5-hydroxy-9-(pyridin-2-ylmethyl)carbazole-4-carboxamide
CID 22740539
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22738225
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-ethyl-5-methylcarbazole-4-carboxamide
CID 59934194
9-[(2-benzylphenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
CID 22741129
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The IUPAC name of 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide (CID 22739095) is 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The canonical SMILES for 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide is Cc1cc(C)cc(Cn2c3cccc(O)c3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The InChIKey is XCPQDLGZHDLIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-13-9-14(2)11-15(10-13)12-24-17-6-3-5-16(22(23)26)20(17)21-18(24)7-4-8-19(21)25/h3-11,25H,12H2,1-2H3,(H2,23,26).
What are the key properties of 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide is sourced from PubChem (CID 22739095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).