9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide

C22H18FN3O2 — CID 174401393

IUPAC9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
SMILESCC(=O)Nc1ccccc1Cn1c2cc(F)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C22H18FN3O2/c1-13(27)25-18-7-3-2-5-14(18)12-26-19-8-4-6-17(22(24)28)21(19)16-10-9-15(23)11-20(16)26/h2-11H,12H2,1H3,(H2,24,28)(H,25,27)
InChIKeyGCKBMIOTIUMZTG-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.04
Rot. Bonds4

About 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide

9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide (PubChem CID 174401393) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
PubChem CID174401393
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
SMILESCC(=O)Nc1ccccc1Cn1c2cc(F)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C22H18FN3O2/c1-13(27)25-18-7-3-2-5-14(18)12-26-19-8-4-6-17(22(24)28)21(19)16-10-9-15(23)11-20(16)26/h2-11H,12H2,1H3,(H2,24,28)(H,25,27)
InChIKeyGCKBMIOTIUMZTG-UHFFFAOYSA-N
XLogP4.04
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-[(2,5-difluorophenyl)methyl]-7-(trifluoromethyl)carbazole-4-carboxamide
CID 174400744
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256
9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414775

Frequently Asked Questions

What is the IUPAC name of 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
The IUPAC name of 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide (CID 174401393) is 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide is CC(=O)Nc1ccccc1Cn1c2cc(F)ccc2c2c(C(N)=O)cccc21.
What is the InChIKey of 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
The InChIKey is GCKBMIOTIUMZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-13(27)25-18-7-3-2-5-14(18)12-26-19-8-4-6-17(22(24)28)21(19)16-10-9-15(23)11-20(16)26/h2-11H,12H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide?
9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide is sourced from PubChem (CID 174401393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).