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

C27H21BrN2O2 — CID 174414385

IUPAC9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccccc4Br)c3c2)cc1
InChIInChI=1S/C27H21BrN2O2/c1-32-20-12-9-17(10-13-20)18-11-14-21-25(15-18)30(16-19-5-2-3-7-23(19)28)24-8-4-6-22(26(21)24)27(29)31/h2-15H,16H2,1H3,(H2,29,31)
InChIKeyGOPKYMYKBKTMPL-UHFFFAOYSA-N
MW485.38 g/mol
LogP6.38
Rot. Bonds5

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

9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (PubChem CID 174414385) has the molecular formula C27H21BrN2O2 and a molecular weight of 485.38 g/mol. Its IUPAC name is 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
PubChem CID174414385
Molecular FormulaC27H21BrN2O2
Molecular Weight485.38 g/mol
Exact Mass484.08
IUPAC Name9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccccc4Br)c3c2)cc1
InChIInChI=1S/C27H21BrN2O2/c1-32-20-12-9-17(10-13-20)18-11-14-21-25(15-18)30(16-19-5-2-3-7-23(19)28)24-8-4-6-22(26(21)24)27(29)31/h2-15H,16H2,1H3,(H2,29,31)
InChIKeyGOPKYMYKBKTMPL-UHFFFAOYSA-N
XLogP6.38
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.38
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414302
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-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
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-[(2-bromophenyl)methyl]-7-(2,4-dichlorophenyl)carbazole-4-carboxamide
CID 174400340
9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517

Frequently Asked Questions

What is the IUPAC name of 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (CID 174414385) is 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is COc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccccc4Br)c3c2)cc1.
What is the InChIKey of 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The InChIKey is GOPKYMYKBKTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2O2/c1-32-20-12-9-17(10-13-20)18-11-14-21-25(15-18)30(16-19-5-2-3-7-23(19)28)24-8-4-6-22(26(21)24)27(29)31/h2-15H,16H2,1H3,(H2,29,31).
What are the key properties of 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide has a molecular weight of 485.38 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).