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

C27H20Cl2N2O — CID 175233520

IUPAC7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1cccc(Cn2c3cc(-c4ccc(Cl)cc4Cl)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C27H20Cl2N2O/c1-16-4-2-5-17(12-16)15-31-24-7-3-6-22(27(30)32)26(24)21-10-8-18(13-25(21)31)20-11-9-19(28)14-23(20)29/h2-14H,15H2,1H3,(H2,30,32)
InChIKeyDLNNNYLADDRIIT-UHFFFAOYSA-N
MW459.38 g/mol
LogP7.22
Rot. Bonds4

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

7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 175233520) has the molecular formula C27H20Cl2N2O and a molecular weight of 459.38 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
PubChem CID175233520
Molecular FormulaC27H20Cl2N2O
Molecular Weight459.38 g/mol
Exact Mass458.10
IUPAC Name7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1cccc(Cn2c3cc(-c4ccc(Cl)cc4Cl)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C27H20Cl2N2O/c1-16-4-2-5-17(12-16)15-31-24-7-3-6-22(27(30)32)26(24)21-10-8-18(13-25(21)31)20-11-9-19(28)14-23(20)29/h2-14H,15H2,1H3,(H2,30,32)
InChIKeyDLNNNYLADDRIIT-UHFFFAOYSA-N
XLogP7.22
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,4-dichlorophenyl)-9-[(2,3-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174417916
7-(2,4-dichlorophenyl)-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235617
9-[(2-bromophenyl)methyl]-7-(2,4-dichlorophenyl)carbazole-4-carboxamide
CID 174400340
7-(2,4-dichlorophenyl)-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174399730
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
7-(2,4-dichlorophenyl)-9-[[2-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 175235599
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414314
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide (CID 175233520) is 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide is Cc1cccc(Cn2c3cc(-c4ccc(Cl)cc4Cl)ccc3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is DLNNNYLADDRIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O/c1-16-4-2-5-17(12-16)15-31-24-7-3-6-22(27(30)32)26(24)21-10-8-18(13-25(21)31)20-11-9-19(28)14-23(20)29/h2-14H,15H2,1H3,(H2,30,32).
What are the key properties of 7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide?
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 7.22, 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-[(3-methylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 175233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).