7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide

C28H22Cl2N2O2 — CID 174417522

IUPAC7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCCOc1cccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C28H22Cl2N2O2/c1-2-34-19-7-3-6-17(14-19)16-32-24-11-4-8-21(28(31)33)27(24)20-13-12-18(15-25(20)32)26-22(29)9-5-10-23(26)30/h3-15H,2,16H2,1H3,(H2,31,33)
InChIKeyVPMYLYICNDHNRP-UHFFFAOYSA-N
MW489.40 g/mol
LogP7.31
Rot. Bonds6

About 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide

7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174417522) has the molecular formula C28H22Cl2N2O2 and a molecular weight of 489.40 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
PubChem CID174417522
Molecular FormulaC28H22Cl2N2O2
Molecular Weight489.40 g/mol
Exact Mass488.11
IUPAC Name7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCCOc1cccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C28H22Cl2N2O2/c1-2-34-19-7-3-6-17(14-19)16-32-24-11-4-8-21(28(31)33)27(24)20-13-12-18(15-25(20)32)26-22(29)9-5-10-23(26)30/h3-15H,2,16H2,1H3,(H2,31,33)
InChIKeyVPMYLYICNDHNRP-UHFFFAOYSA-N
XLogP7.31
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.40
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414314
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414740
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide (CID 174417522) is 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide is CCOc1cccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is VPMYLYICNDHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O2/c1-2-34-19-7-3-6-17(14-19)16-32-24-11-4-8-21(28(31)33)27(24)20-13-12-18(15-25(20)32)26-22(29)9-5-10-23(26)30/h3-15H,2,16H2,1H3,(H2,31,33).
What are the key properties of 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide?
7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 489.40 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174417522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).