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

C26H18BrClN2O — CID 174414760

IUPAC9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(Br)cc1
InChIInChI=1S/C26H18BrClN2O/c27-19-9-4-16(5-10-19)15-30-23-3-1-2-22(26(29)31)25(23)21-13-8-18(14-24(21)30)17-6-11-20(28)12-7-17/h1-14H,15H2,(H2,29,31)
InChIKeyIJIXEMYYXZGRKV-UHFFFAOYSA-N
MW489.80 g/mol
LogP7.02
Rot. Bonds4

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

9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (PubChem CID 174414760) has the molecular formula C26H18BrClN2O and a molecular weight of 489.80 g/mol. Its IUPAC name is 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
PubChem CID174414760
Molecular FormulaC26H18BrClN2O
Molecular Weight489.80 g/mol
Exact Mass488.03
IUPAC Name9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(Br)cc1
InChIInChI=1S/C26H18BrClN2O/c27-19-9-4-16(5-10-19)15-30-23-3-1-2-22(26(29)31)25(23)21-13-8-18(14-24(21)30)17-6-11-20(28)12-7-17/h1-14H,15H2,(H2,29,31)
InChIKeyIJIXEMYYXZGRKV-UHFFFAOYSA-N
XLogP7.02
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.80
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (CID 174414760) is 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(Br)cc1.
What is the InChIKey of 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The InChIKey is IJIXEMYYXZGRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrClN2O/c27-19-9-4-16(5-10-19)15-30-23-3-1-2-22(26(29)31)25(23)21-13-8-18(14-24(21)30)17-6-11-20(28)12-7-17/h1-14H,15H2,(H2,29,31).
What are the key properties of 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide has a molecular weight of 489.80 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).