2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide

C22H36FNO — CID 87644126

IUPAC2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)CF
InChIInChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(25)21-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChIKeyKUSVGKPSOAMVCU-DOFZRALJSA-N
MW349.53 g/mol
LogP6.22
Rot. Bonds16

About 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide

2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide (PubChem CID 87644126) has the molecular formula C22H36FNO and a molecular weight of 349.53 g/mol. Its IUPAC name is 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
PubChem CID87644126
Molecular FormulaC22H36FNO
Molecular Weight349.53 g/mol
Exact Mass349.28
IUPAC Name2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)CF
InChIInChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(25)21-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChIKeyKUSVGKPSOAMVCU-DOFZRALJSA-N
XLogP6.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.53
LogP ≤ 56.22
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 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide with MolForge

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Related Compounds

N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10316739
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide?
The IUPAC name of 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide (CID 87644126) is 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)CF.
What is the InChIKey of 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide?
The InChIKey is KUSVGKPSOAMVCU-DOFZRALJSA-N. The full InChI is InChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(25)21-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide?
2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide has a molecular weight of 349.53 g/mol, XLogP of 6.22, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide is sourced from PubChem (CID 87644126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).