2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide

C19H32F2N2O4 — CID 123681861

IUPAC2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide
SMILESCC(CNC(=O)C(F)=CCCCCCO)NC(=O)C(F)=CCCCCCO
InChIInChI=1S/C19H32F2N2O4/c1-15(23-19(27)17(21)11-7-3-5-9-13-25)14-22-18(26)16(20)10-6-2-4-8-12-24/h10-11,15,24-25H,2-9,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyLOJFNCLIZPHCOT-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.42
Rot. Bonds15

About 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide

2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide (PubChem CID 123681861) has the molecular formula C19H32F2N2O4 and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide
PubChem CID123681861
Molecular FormulaC19H32F2N2O4
Molecular Weight390.47 g/mol
Exact Mass390.23
IUPAC Name2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide
SMILESCC(CNC(=O)C(F)=CCCCCCO)NC(=O)C(F)=CCCCCCO
InChIInChI=1S/C19H32F2N2O4/c1-15(23-19(27)17(21)11-7-3-5-9-13-25)14-22-18(26)16(20)10-6-2-4-8-12-24/h10-11,15,24-25H,2-9,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyLOJFNCLIZPHCOT-UHFFFAOYSA-N
XLogP2.42
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide?
The IUPAC name of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide (CID 123681861) is 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide is CC(CNC(=O)C(F)=CCCCCCO)NC(=O)C(F)=CCCCCCO.
What is the InChIKey of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide?
The InChIKey is LOJFNCLIZPHCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2N2O4/c1-15(23-19(27)17(21)11-7-3-5-9-13-25)14-22-18(26)16(20)10-6-2-4-8-12-24/h10-11,15,24-25H,2-9,12-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide?
2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide has a molecular weight of 390.47 g/mol, XLogP of 2.42, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide is sourced from PubChem (CID 123681861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).