7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide

C27H21ClN2O2 — CID 174417826

IUPAC7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCOc1ccccc1Cn1c2cc(-c3ccc(Cl)cc3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C27H21ClN2O2/c1-32-25-8-3-2-5-19(25)16-30-23-7-4-6-22(27(29)31)26(23)21-14-11-18(15-24(21)30)17-9-12-20(28)13-10-17/h2-15H,16H2,1H3,(H2,29,31)
InChIKeyIAYJFWJUISGTQB-UHFFFAOYSA-N
MW440.93 g/mol
LogP6.27
Rot. Bonds5

About 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide

7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174417826) has the molecular formula C27H21ClN2O2 and a molecular weight of 440.93 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
PubChem CID174417826
Molecular FormulaC27H21ClN2O2
Molecular Weight440.93 g/mol
Exact Mass440.13
IUPAC Name7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCOc1ccccc1Cn1c2cc(-c3ccc(Cl)cc3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C27H21ClN2O2/c1-32-25-8-3-2-5-19(25)16-30-23-7-4-6-22(27(29)31)26(23)21-14-11-18(15-24(21)30)17-9-12-20(28)13-10-17/h2-15H,16H2,1H3,(H2,29,31)
InChIKeyIAYJFWJUISGTQB-UHFFFAOYSA-N
XLogP6.27
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174418464
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174414809
7-(2,4-dichlorophenyl)-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174399730
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414302
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414567

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide (CID 174417826) is 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide is COc1ccccc1Cn1c2cc(-c3ccc(Cl)cc3)ccc2c2c(C(N)=O)cccc21.
What is the InChIKey of 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is IAYJFWJUISGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O2/c1-32-25-8-3-2-5-19(25)16-30-23-7-4-6-22(27(29)31)26(23)21-14-11-18(15-24(21)30)17-9-12-20(28)13-10-17/h2-15H,16H2,1H3,(H2,29,31).
What are the key properties of 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide?
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174417826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).