9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide

C21H17FN2O2 — CID 22740091

IUPAC9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide
SMILESCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C21H17FN2O2/c1-12-8-17-20(18(25)9-12)19-15(21(23)26)6-3-7-16(19)24(17)11-13-4-2-5-14(22)10-13/h2-10,25H,11H2,1H3,(H2,23,26)
InChIKeyBUHJARZXNJGYSY-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.09
Rot. Bonds3

About 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide

9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide (PubChem CID 22740091) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide
PubChem CID22740091
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide
SMILESCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C21H17FN2O2/c1-12-8-17-20(18(25)9-12)19-15(21(23)26)6-3-7-16(19)24(17)11-13-4-2-5-14(22)10-13/h2-10,25H,11H2,1H3,(H2,23,26)
InChIKeyBUHJARZXNJGYSY-UHFFFAOYSA-N
XLogP4.09
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide (CID 22740091) is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide is Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
The InChIKey is BUHJARZXNJGYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-12-8-17-20(18(25)9-12)19-15(21(23)26)6-3-7-16(19)24(17)11-13-4-2-5-14(22)10-13/h2-10,25H,11H2,1H3,(H2,23,26).
What are the key properties of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide is sourced from PubChem (CID 22740091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).