N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide

C22H36ClNO — CID 1977

IUPACN-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl
InChIInChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)
InChIKeySCJNCDSAIRBRIA-UHFFFAOYSA-N
MW365.99 g/mol
LogP6.49
Rot. Bonds16

About N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide

N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 1977) has the molecular formula C22H36ClNO and a molecular weight of 365.99 g/mol. Its IUPAC name is N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
PubChem CID1977
Molecular FormulaC22H36ClNO
Molecular Weight365.99 g/mol
Exact Mass365.25
IUPAC NameN-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl
InChIInChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)
InChIKeySCJNCDSAIRBRIA-UHFFFAOYSA-N
XLogP6.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.99
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(E)-N-(2-chloroethyl)-8-oxooctadec-9-enamide
CID 53317468
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide (CID 1977) is N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is SCJNCDSAIRBRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/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 N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide?
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 365.99 g/mol, XLogP of 6.49, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 1977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).