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

C27H19Cl3N2O2 — CID 174401344

IUPAC9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
SMILESCOc1ccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C27H19Cl3N2O2/c1-34-24-11-8-15(12-21(24)30)14-32-22-7-2-4-18(27(31)33)26(22)17-10-9-16(13-23(17)32)25-19(28)5-3-6-20(25)29/h2-13H,14H2,1H3,(H2,31,33)
InChIKeyJOKXWBSXGCYUPI-UHFFFAOYSA-N
MW509.82 g/mol
LogP7.58
Rot. Bonds5

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

9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide (PubChem CID 174401344) has the molecular formula C27H19Cl3N2O2 and a molecular weight of 509.82 g/mol. Its IUPAC name is 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
PubChem CID174401344
Molecular FormulaC27H19Cl3N2O2
Molecular Weight509.82 g/mol
Exact Mass508.05
IUPAC Name9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
SMILESCOc1ccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C27H19Cl3N2O2/c1-34-24-11-8-15(12-21(24)30)14-32-22-7-2-4-18(27(31)33)26(22)17-10-9-16(13-23(17)32)25-19(28)5-3-6-20(25)29/h2-13H,14H2,1H3,(H2,31,33)
InChIKeyJOKXWBSXGCYUPI-UHFFFAOYSA-N
XLogP7.58
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174417997
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414314
7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417522
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414740
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
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
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide (CID 174401344) is 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide is COc1ccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)cc1Cl.
What is the InChIKey of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The InChIKey is JOKXWBSXGCYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl3N2O2/c1-34-24-11-8-15(12-21(24)30)14-32-22-7-2-4-18(27(31)33)26(22)17-10-9-16(13-23(17)32)25-19(28)5-3-6-20(25)29/h2-13H,14H2,1H3,(H2,31,33).
What are the key properties of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide has a molecular weight of 509.82 g/mol, XLogP of 7.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174401344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).