2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide

C22H36FNO — CID 54014605

IUPAC2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=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)
InChIKeyKUSVGKPSOAMVCU-UHFFFAOYSA-N
MW349.53 g/mol
LogP6.22
Rot. Bonds16

About 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide

2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide (PubChem CID 54014605) has the molecular formula C22H36FNO and a molecular weight of 349.53 g/mol. Its IUPAC name is 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide.

Molecular Properties

Compound Name2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide
PubChem CID54014605
Molecular FormulaC22H36FNO
Molecular Weight349.53 g/mol
Exact Mass349.28
IUPAC Name2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=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)
InChIKeyKUSVGKPSOAMVCU-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide?
The IUPAC name of 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide (CID 54014605) is 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide.
What is the SMILES notation for 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide?
The canonical SMILES for 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide is CCCCCC=CCC=CCC=CCC=CCCCCNC(=O)CF.
What is the InChIKey of 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide?
The InChIKey is KUSVGKPSOAMVCU-UHFFFAOYSA-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).
What are the key properties of 2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide?
2-fluoro-N-icosa-5,8,11,14-tetraenylacetamide 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-icosa-5,8,11,14-tetraenylacetamide is sourced from PubChem (CID 54014605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).