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

C22H19FN2O — CID 174400303

IUPAC9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C)c3F)c2c1
InChIInChI=1S/C22H19FN2O/c1-13-9-10-16-19(11-13)25(12-15-6-3-5-14(2)21(15)23)18-8-4-7-17(20(16)18)22(24)26/h3-11H,12H2,1-2H3,(H2,24,26)
InChIKeyNZNWUOIGVFETKJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.70
Rot. Bonds3

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

9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide (PubChem CID 174400303) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
PubChem CID174400303
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C)c3F)c2c1
InChIInChI=1S/C22H19FN2O/c1-13-9-10-16-19(11-13)25(12-15-6-3-5-14(2)21(15)23)18-8-4-7-17(20(16)18)22(24)26/h3-11H,12H2,1-2H3,(H2,24,26)
InChIKeyNZNWUOIGVFETKJ-UHFFFAOYSA-N
XLogP4.70
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414098
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide
CID 174399462
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308

Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide (CID 174400303) is 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide is Cc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C)c3F)c2c1.
What is the InChIKey of 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide?
The InChIKey is NZNWUOIGVFETKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-13-9-10-16-19(11-13)25(12-15-6-3-5-14(2)21(15)23)18-8-4-7-17(20(16)18)22(24)26/h3-11H,12H2,1-2H3,(H2,24,26).
What are the key properties of 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide?
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide is sourced from PubChem (CID 174400303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).