9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide

C20H15FN2O2 — CID 22738756

IUPAC9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C20H15FN2O2/c21-13-5-1-4-12(10-13)11-23-15-7-2-6-14(20(22)25)18(15)19-16(23)8-3-9-17(19)24/h1-10,24H,11H2,(H2,22,25)
InChIKeyALXSLILFYVMFEJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.79
Rot. Bonds3

About 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide

9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide (PubChem CID 22738756) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
PubChem CID22738756
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C20H15FN2O2/c21-13-5-1-4-12(10-13)11-23-15-7-2-6-14(20(22)25)18(15)19-16(23)8-3-9-17(19)24/h1-10,24H,11H2,(H2,22,25)
InChIKeyALXSLILFYVMFEJ-UHFFFAOYSA-N
XLogP3.79
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.79
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-hydroxycarbazole-4-carboxamide?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide (CID 22738756) is 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide is NC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(F)c1.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The InChIKey is ALXSLILFYVMFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-13-5-1-4-12(10-13)11-23-15-7-2-6-14(20(22)25)18(15)19-16(23)8-3-9-17(19)24/h1-10,24H,11H2,(H2,22,25).
What are the key properties of 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 3.79, 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-hydroxycarbazole-4-carboxamide is sourced from PubChem (CID 22738756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).