9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

C22H18BrFN2O2 — CID 174417849

IUPAC9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(F)ccc3Br)c2c1
InChIInChI=1S/C22H18BrFN2O2/c1-28-12-13-5-7-16-20(9-13)26(11-14-10-15(24)6-8-18(14)23)19-4-2-3-17(21(16)19)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27)
InChIKeyJRHACUNTBFBRIM-UHFFFAOYSA-N
MW441.30 g/mol
LogP4.99
Rot. Bonds5

About 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (PubChem CID 174417849) has the molecular formula C22H18BrFN2O2 and a molecular weight of 441.30 g/mol. Its IUPAC name is 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
PubChem CID174417849
Molecular FormulaC22H18BrFN2O2
Molecular Weight441.30 g/mol
Exact Mass440.05
IUPAC Name9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(F)ccc3Br)c2c1
InChIInChI=1S/C22H18BrFN2O2/c1-28-12-13-5-7-16-20(9-13)26(11-14-10-15(24)6-8-18(14)23)19-4-2-3-17(21(16)19)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27)
InChIKeyJRHACUNTBFBRIM-UHFFFAOYSA-N
XLogP4.99
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414098
9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414684
9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide
CID 174444274
9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400045
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174401393
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385

Frequently Asked Questions

What is the IUPAC name of 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (CID 174417849) is 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is COCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(F)ccc3Br)c2c1.
What is the InChIKey of 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The InChIKey is JRHACUNTBFBRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN2O2/c1-28-12-13-5-7-16-20(9-13)26(11-14-10-15(24)6-8-18(14)23)19-4-2-3-17(21(16)19)22(25)27/h2-10H,11-12H2,1H3,(H2,25,27).
What are the key properties of 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide has a molecular weight of 441.30 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174417849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).