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

C23H38FNO — CID 5283437

IUPAC(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
InChIKeyHMMNZALKMVCHHZ-ZKWNWVNESA-N
MW363.56 g/mol
LogP6.46
Rot. Bonds16

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

(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide (PubChem CID 5283437) has the molecular formula C23H38FNO and a molecular weight of 363.56 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
PubChem CID5283437
Molecular FormulaC23H38FNO
Molecular Weight363.56 g/mol
Exact Mass363.29
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
InChIKeyHMMNZALKMVCHHZ-ZKWNWVNESA-N
XLogP6.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.56
LogP ≤ 56.46
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 (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide (CID 5283437) is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide?
The InChIKey is HMMNZALKMVCHHZ-ZKWNWVNESA-N. The full InChI is InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide has a molecular weight of 363.56 g/mol, XLogP of 6.46, 16 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)-2-methylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).