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

C28H22Cl2N2O — CID 174417916

IUPAC7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1cccc(Cn2c3cc(-c4ccc(Cl)cc4Cl)ccc3c3c(C(N)=O)cccc32)c1C
InChIInChI=1S/C28H22Cl2N2O/c1-16-5-3-6-19(17(16)2)15-32-25-8-4-7-23(28(31)33)27(25)22-11-9-18(13-26(22)32)21-12-10-20(29)14-24(21)30/h3-14H,15H2,1-2H3,(H2,31,33)
InChIKeyHIZIFQFXJZYRFQ-UHFFFAOYSA-N
MW473.40 g/mol
LogP7.53
Rot. Bonds4

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

7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174417916) has the molecular formula C28H22Cl2N2O and a molecular weight of 473.40 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174417916
Molecular FormulaC28H22Cl2N2O
Molecular Weight473.40 g/mol
Exact Mass472.11
IUPAC Name7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1cccc(Cn2c3cc(-c4ccc(Cl)cc4Cl)ccc3c3c(C(N)=O)cccc32)c1C
InChIInChI=1S/C28H22Cl2N2O/c1-16-5-3-6-19(17(16)2)15-32-25-8-4-7-23(28(31)33)27(25)22-11-9-18(13-26(22)32)21-12-10-20(29)14-24(21)30/h3-14H,15H2,1-2H3,(H2,31,33)
InChIKeyHIZIFQFXJZYRFQ-UHFFFAOYSA-N
XLogP7.53
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(2-bromophenyl)methyl]-7-(2,4-dichlorophenyl)carbazole-4-carboxamide
CID 174400340
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520
7-(2,4-dichlorophenyl)-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174399730
7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 175235599
7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235617
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174418464
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414775
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide (CID 174417916) is 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide is Cc1cccc(Cn2c3cc(-c4ccc(Cl)cc4Cl)ccc3c3c(C(N)=O)cccc32)c1C.
What is the InChIKey of 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is HIZIFQFXJZYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O/c1-16-5-3-6-19(17(16)2)15-32-25-8-4-7-23(28(31)33)27(25)22-11-9-18(13-26(22)32)21-12-10-20(29)14-24(21)30/h3-14H,15H2,1-2H3,(H2,31,33).
What are the key properties of 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide?
7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 7.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174417916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).