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

C19H30F2N2O4 — CID 78045888

IUPAC2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide
SMILESO=C(NC1CC1NC(=O)C(F)=CCCCCCO)C(F)=CCCCCCO
InChIInChI=1S/C19H30F2N2O4/c20-14(9-5-1-3-7-11-24)18(26)22-16-13-17(16)23-19(27)15(21)10-6-2-4-8-12-25/h9-10,16-17,24-25H,1-8,11-13H2,(H,22,26)(H,23,27)
InChIKeyNYAGVGDNAUDFMN-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.17
Rot. Bonds14

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

2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide (PubChem CID 78045888) has the molecular formula C19H30F2N2O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide
PubChem CID78045888
Molecular FormulaC19H30F2N2O4
Molecular Weight388.46 g/mol
Exact Mass388.22
IUPAC Name2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide
SMILESO=C(NC1CC1NC(=O)C(F)=CCCCCCO)C(F)=CCCCCCO
InChIInChI=1S/C19H30F2N2O4/c20-14(9-5-1-3-7-11-24)18(26)22-16-13-17(16)23-19(27)15(21)10-6-2-4-8-12-25/h9-10,16-17,24-25H,1-8,11-13H2,(H,22,26)(H,23,27)
InChIKeyNYAGVGDNAUDFMN-UHFFFAOYSA-N
XLogP2.17
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.17
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'}

Analyze 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide with MolForge

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Related Compounds

[(E)-16-fluoro-17-[[2-[[(E)-2-fluoro-17-hydroxyheptadec-2-enoyl]amino]cyclopropyl]amino]-17-oxoheptadec-15-enyl] hypofluorite
CID 144516790
2-fluoro-N-[(1S,2R)-2-[(2-fluoro-18-hydroxyoctadec-2-enoyl)amino]cyclopentyl]-18-hydroxyoctadec-2-enamide
CID 123453974
(Z)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide;(Z)-2-fluoro-N-[(1S,3R)-3-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide;(Z)-2-fluoro-N-[(1R,2S)-2-[[(Z)-2-fluoro-17-hydroxyheptadec-2-enoyl]amino]cyclopentyl]-17-hydroxyheptadec-2-enamide;(Z)-2-fluoro-N-[(1R,2S)-2-[[(Z)-2-fluoro-18-hydroxyoctadec-2-enoyl]amino]cyclopentyl]-18-hydroxyoctadec-2-enamide;(E)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]-14-hydroxytetradec-2-enamide;(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]-14-hydroxytetradec-2-enamide
CID 159298102
(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide
CID 144516796
(Z)-N-[(1R,2S)-2-[[(Z)-docos-13-enoyl]amino]cyclopropyl]docos-13-enamide;(Z)-2-fluoro-N-[(1R,2S)-2-[[(Z)-2-fluoro-8-hydroxyoct-2-enoyl]amino]cyclopentyl]-8-hydroxyoct-2-enamide;(9Z,12Z)-N-[(1S,2R)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]cyclopropyl]octadeca-9,12-dienamide;(9Z,12Z,15Z)-N-[(1R,2S)-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]cyclopropyl]octadeca-9,12,15-trienamide;bis((Z)-N-[(1R,2S)-2-[[(Z)-octadec-9-enoyl]amino]cyclopropyl]octadec-9-enamide)
CID 161054263
11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide
CID 123565644
17-hydroxy-N-[(1S,2R)-2-(17-hydroxyheptadec-2-enoylamino)cyclopropyl]heptadec-2-enamide
CID 123255928
2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]propyl]-8-hydroxyoct-2-enamide
CID 123681861
(Z)-2-fluoro-N-[(1R,2S)-2-[[(Z)-2-fluoro-8-(oxan-2-yloxy)oct-2-enoyl]amino]cyclopentyl]-8-(oxan-2-yloxy)oct-2-enamide
CID 71244543
(E)-15-hydroxy-N-[(1R,2R)-2-[[(E)-14-hydroxytetradec-2-enoyl]amino]cyclobutyl]pentadec-2-enamide
CID 90381702
N'-cyclododecyl-N-(5-hydroxypentyl)oxamide
CID 108517393
2-fluoro-N-[3-(2-fluorododec-2-enoylamino)butan-2-yl]tridec-2-enamide
CID 123461381

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide?
The IUPAC name of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide (CID 78045888) is 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide is O=C(NC1CC1NC(=O)C(F)=CCCCCCO)C(F)=CCCCCCO.
What is the InChIKey of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide?
The InChIKey is NYAGVGDNAUDFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2N2O4/c20-14(9-5-1-3-7-11-24)18(26)22-16-13-17(16)23-19(27)15(21)10-6-2-4-8-12-25/h9-10,16-17,24-25H,1-8,11-13H2,(H,22,26)(H,23,27).
What are the key properties of 2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide?
2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide has a molecular weight of 388.46 g/mol, XLogP of 2.17, 14 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]cyclopropyl]-8-hydroxyoct-2-enamide is sourced from PubChem (CID 78045888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).