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

C28H21Cl2N3O2 — CID 174414749

IUPAC9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
SMILESCC(=O)Nc1ccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C28H21Cl2N3O2/c1-16(34)32-19-11-8-17(9-12-19)15-33-24-7-2-4-21(28(31)35)27(24)20-13-10-18(14-25(20)33)26-22(29)5-3-6-23(26)30/h2-14H,15H2,1H3,(H2,31,35)(H,32,34)
InChIKeyGFWKIKTUTZWBFW-UHFFFAOYSA-N
MW502.40 g/mol
LogP6.87
Rot. Bonds5

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

9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide (PubChem CID 174414749) has the molecular formula C28H21Cl2N3O2 and a molecular weight of 502.40 g/mol. Its IUPAC name is 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
PubChem CID174414749
Molecular FormulaC28H21Cl2N3O2
Molecular Weight502.40 g/mol
Exact Mass501.10
IUPAC Name9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
SMILESCC(=O)Nc1ccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C28H21Cl2N3O2/c1-16(34)32-19-11-8-17(9-12-19)15-33-24-7-2-4-21(28(31)35)27(24)20-13-10-18(14-25(20)33)26-22(29)5-3-6-23(26)30/h2-14H,15H2,1H3,(H2,31,35)(H,32,34)
InChIKeyGFWKIKTUTZWBFW-UHFFFAOYSA-N
XLogP6.87
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.40
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414314
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417522
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
7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399458

Frequently Asked Questions

What is the IUPAC name of 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide (CID 174414749) is 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide is CC(=O)Nc1ccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)cc1.
What is the InChIKey of 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The InChIKey is GFWKIKTUTZWBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2N3O2/c1-16(34)32-19-11-8-17(9-12-19)15-33-24-7-2-4-21(28(31)35)27(24)20-13-10-18(14-25(20)33)26-22(29)5-3-6-23(26)30/h2-14H,15H2,1H3,(H2,31,35)(H,32,34).
What are the key properties of 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide has a molecular weight of 502.40 g/mol, XLogP of 6.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).