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

C27H20Cl2N2O2 — CID 175233547

IUPAC9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4c(Cl)cccc4Cl)c3c2)cc1
InChIInChI=1S/C27H20Cl2N2O2/c1-33-18-11-8-16(9-12-18)17-10-13-19-25(14-17)31(15-21-22(28)5-3-6-23(21)29)24-7-2-4-20(26(19)24)27(30)32/h2-14H,15H2,1H3,(H2,30,32)
InChIKeyJZWQQLGCTOBKOQ-UHFFFAOYSA-N
MW475.38 g/mol
LogP6.92
Rot. Bonds5

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

9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (PubChem CID 175233547) has the molecular formula C27H20Cl2N2O2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
PubChem CID175233547
Molecular FormulaC27H20Cl2N2O2
Molecular Weight475.38 g/mol
Exact Mass474.09
IUPAC Name9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4c(Cl)cccc4Cl)c3c2)cc1
InChIInChI=1S/C27H20Cl2N2O2/c1-33-18-11-8-16(9-12-18)17-10-13-19-25(14-17)31(15-21-22(28)5-3-6-23(21)29)24-7-2-4-20(26(19)24)27(30)32/h2-14H,15H2,1H3,(H2,30,32)
InChIKeyJZWQQLGCTOBKOQ-UHFFFAOYSA-N
XLogP6.92
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385
9-[(2,6-dichlorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174440701
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414302
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414660
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400045

Frequently Asked Questions

What is the IUPAC name of 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (CID 175233547) is 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is COc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4c(Cl)cccc4Cl)c3c2)cc1.
What is the InChIKey of 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The InChIKey is JZWQQLGCTOBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O2/c1-33-18-11-8-16(9-12-18)17-10-13-19-25(14-17)31(15-21-22(28)5-3-6-23(21)29)24-7-2-4-20(26(19)24)27(30)32/h2-14H,15H2,1H3,(H2,30,32).
What are the key properties of 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide has a molecular weight of 475.38 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is sourced from PubChem (CID 175233547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).