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

C26H17BrClFN2O — CID 174414567

IUPAC9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(Br)cc1F
InChIInChI=1S/C26H17BrClFN2O/c27-18-8-4-17(22(29)13-18)14-31-23-3-1-2-21(26(30)32)25(23)20-11-7-16(12-24(20)31)15-5-9-19(28)10-6-15/h1-13H,14H2,(H2,30,32)
InChIKeyBIRLPZUOOAREFK-UHFFFAOYSA-N
MW507.79 g/mol
LogP7.16
Rot. Bonds4

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

9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (PubChem CID 174414567) has the molecular formula C26H17BrClFN2O and a molecular weight of 507.79 g/mol. Its IUPAC name is 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
PubChem CID174414567
Molecular FormulaC26H17BrClFN2O
Molecular Weight507.79 g/mol
Exact Mass506.02
IUPAC Name9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(Br)cc1F
InChIInChI=1S/C26H17BrClFN2O/c27-18-8-4-17(22(29)13-18)14-31-23-3-1-2-21(26(30)32)25(23)20-11-7-16(12-24(20)31)15-5-9-19(28)10-6-15/h1-13H,14H2,(H2,30,32)
InChIKeyBIRLPZUOOAREFK-UHFFFAOYSA-N
XLogP7.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.79
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (CID 174414567) is 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccc(Br)cc1F.
What is the InChIKey of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The InChIKey is BIRLPZUOOAREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrClFN2O/c27-18-8-4-17(22(29)13-18)14-31-23-3-1-2-21(26(30)32)25(23)20-11-7-16(12-24(20)31)15-5-9-19(28)10-6-15/h1-13H,14H2,(H2,30,32).
What are the key properties of 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide has a molecular weight of 507.79 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).