(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide

C21H34FNO — CID 34273070

IUPAC(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide
SMILESCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF
InChIInChI=1S/C21H34FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20-19-22/h5-6,8-9,11-12,14-15H,2-4,7,10,13,16-20H2,1H3,(H,23,24)/b6-5-,9-8-,12-11-,15-14-
InChIKeyITMSLOTUVIPTJJ-AFSLFLIVSA-N
MW335.51 g/mol
LogP5.83
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide (PubChem CID 34273070) has the molecular formula C21H34FNO and a molecular weight of 335.51 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide
PubChem CID34273070
Molecular FormulaC21H34FNO
Molecular Weight335.51 g/mol
Exact Mass335.26
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide
SMILESCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF
InChIInChI=1S/C21H34FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20-19-22/h5-6,8-9,11-12,14-15H,2-4,7,10,13,16-20H2,1H3,(H,23,24)/b6-5-,9-8-,12-11-,15-14-
InChIKeyITMSLOTUVIPTJJ-AFSLFLIVSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.51
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide with MolForge

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Related Compounds

(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10316739
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 87644126
(5Z,8Z,11Z,14Z,17Z)-N-(2-aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide (CID 34273070) is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide is CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide?
The InChIKey is ITMSLOTUVIPTJJ-AFSLFLIVSA-N. The full InChI is InChI=1S/C21H34FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20-19-22/h5-6,8-9,11-12,14-15H,2-4,7,10,13,16-20H2,1H3,(H,23,24)/b6-5-,9-8-,12-11-,15-14-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide has a molecular weight of 335.51 g/mol, XLogP of 5.83, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 34273070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).