N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide

C17H15NO3 — CID 25188168

IUPACN-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide
SMILESO=C(NCCCO)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C17H15NO3/c19-9-3-8-18-17(21)11-6-7-13-12-4-1-2-5-14(12)16(20)15(13)10-11/h1-2,4-7,10,19H,3,8-9H2,(H,18,21)
InChIKeyARMZHEXCQQIOLY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.01
Rot. Bonds4

About N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide

N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide (PubChem CID 25188168) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide
PubChem CID25188168
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide
SMILESO=C(NCCCO)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C17H15NO3/c19-9-3-8-18-17(21)11-6-7-13-12-4-1-2-5-14(12)16(20)15(13)10-11/h1-2,4-7,10,19H,3,8-9H2,(H,18,21)
InChIKeyARMZHEXCQQIOLY-UHFFFAOYSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.01
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-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide (CID 25188168) is N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide is O=C(NCCCO)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide?
The InChIKey is ARMZHEXCQQIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-9-3-8-18-17(21)11-6-7-13-12-4-1-2-5-14(12)16(20)15(13)10-11/h1-2,4-7,10,19H,3,8-9H2,(H,18,21).
What are the key properties of N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide?
N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 25188168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).