6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide

C25H19FN2O — CID 174423897

IUPAC6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2ccccc2c1Cn1c2ccc(F)cc2c2c(C(N)=O)cccc21
InChIInChI=1S/C25H19FN2O/c1-15-9-10-16-5-2-3-6-18(16)21(15)14-28-22-12-11-17(26)13-20(22)24-19(25(27)29)7-4-8-23(24)28/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyLTRHROIBPQVFIM-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.54
Rot. Bonds3

About 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide

6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide (PubChem CID 174423897) has the molecular formula C25H19FN2O and a molecular weight of 382.44 g/mol. Its IUPAC name is 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
PubChem CID174423897
Molecular FormulaC25H19FN2O
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2ccccc2c1Cn1c2ccc(F)cc2c2c(C(N)=O)cccc21
InChIInChI=1S/C25H19FN2O/c1-15-9-10-16-5-2-3-6-18(16)21(15)14-28-22-12-11-17(26)13-20(22)24-19(25(27)29)7-4-8-23(24)28/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyLTRHROIBPQVFIM-UHFFFAOYSA-N
XLogP5.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-9-[(2,3,6-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174417840
7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174414734
9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
CID 174417549
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174414934
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174401393
9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide
CID 174399462

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
The IUPAC name of 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide (CID 174423897) is 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide is Cc1ccc2ccccc2c1Cn1c2ccc(F)cc2c2c(C(N)=O)cccc21.
What is the InChIKey of 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
The InChIKey is LTRHROIBPQVFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O/c1-15-9-10-16-5-2-3-6-18(16)21(15)14-28-22-12-11-17(26)13-20(22)24-19(25(27)29)7-4-8-23(24)28/h2-13H,14H2,1H3,(H2,27,29).
What are the key properties of 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174423897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).