N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide

C18H17NO3 — CID 25188170

IUPACN-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide
SMILESO=C(NCCCCO)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C18H17NO3/c20-10-4-3-9-19-18(22)12-7-8-14-13-5-1-2-6-15(13)17(21)16(14)11-12/h1-2,5-8,11,20H,3-4,9-10H2,(H,19,22)
InChIKeyGCOZAIVOPSKHND-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.40
Rot. Bonds5

About N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide

N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide (PubChem CID 25188170) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide
PubChem CID25188170
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide
SMILESO=C(NCCCCO)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C18H17NO3/c20-10-4-3-9-19-18(22)12-7-8-14-13-5-1-2-6-15(13)17(21)16(14)11-12/h1-2,5-8,11,20H,3-4,9-10H2,(H,19,22)
InChIKeyGCOZAIVOPSKHND-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide (CID 25188170) is N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide is O=C(NCCCCO)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide?
The InChIKey is GCOZAIVOPSKHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-10-4-3-9-19-18(22)12-7-8-14-13-5-1-2-6-15(13)17(21)16(14)11-12/h1-2,5-8,11,20H,3-4,9-10H2,(H,19,22).
What are the key properties of N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide?
N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 25188170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).