9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

C23H21FN2O2 — CID 174414098

IUPAC9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C)c3F)c2c1
InChIInChI=1S/C23H21FN2O2/c1-14-5-3-6-16(22(14)24)12-26-19-8-4-7-18(23(25)27)21(19)17-10-9-15(13-28-2)11-20(17)26/h3-11H,12-13H2,1-2H3,(H2,25,27)
InChIKeyKQRBQNSQQMFBSH-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.54
Rot. Bonds5

About 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide

9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (PubChem CID 174414098) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
PubChem CID174414098
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C)c3F)c2c1
InChIInChI=1S/C23H21FN2O2/c1-14-5-3-6-16(22(14)24)12-26-19-8-4-7-18(23(25)27)21(19)17-10-9-15(13-28-2)11-20(17)26/h3-11H,12-13H2,1-2H3,(H2,25,27)
InChIKeyKQRBQNSQQMFBSH-UHFFFAOYSA-N
XLogP4.54
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414684
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400045
9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide
CID 174444274
9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417531
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416

Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide (CID 174414098) is 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is COCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C)c3F)c2c1.
What is the InChIKey of 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
The InChIKey is KQRBQNSQQMFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-14-5-3-6-16(22(14)24)12-26-19-8-4-7-18(23(25)27)21(19)17-10-9-15(13-28-2)11-20(17)26/h3-11H,12-13H2,1-2H3,(H2,25,27).
What are the key properties of 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide?
9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).