7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide

C23H22N2O — CID 174417581

IUPAC7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C)c2c1
InChIInChI=1S/C23H22N2O/c1-3-16-11-12-18-21(13-16)25(14-17-8-5-4-7-15(17)2)20-10-6-9-19(22(18)20)23(24)26/h4-13H,3,14H2,1-2H3,(H2,24,26)
InChIKeyDBUNIMSFOQNELM-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.81
Rot. Bonds4

About 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide

7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174417581) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174417581
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C)c2c1
InChIInChI=1S/C23H22N2O/c1-3-16-11-12-18-21(13-16)25(14-17-8-5-4-7-15(17)2)20-10-6-9-19(22(18)20)23(24)26/h4-13H,3,14H2,1-2H3,(H2,24,26)
InChIKeyDBUNIMSFOQNELM-UHFFFAOYSA-N
XLogP4.81
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide (CID 174417581) is 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide is CCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C)c2c1.
What is the InChIKey of 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is DBUNIMSFOQNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-3-16-11-12-18-21(13-16)25(14-17-8-5-4-7-15(17)2)20-10-6-9-19(22(18)20)23(24)26/h4-13H,3,14H2,1-2H3,(H2,24,26).
What are the key properties of 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide?
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174417581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).