(9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide

C26H40BrNO — CID 162673441

IUPAC(9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C26H40BrNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)28-23(2)24-19-21-25(27)22-20-24/h7-8,10-11,19-23H,3-6,9,12-18H2,1-2H3,(H,28,29)/b8-7-,11-10-
InChIKeyOMAALWDHDPYFNP-NQLNTKRDSA-N
MW462.52 g/mol
LogP8.44
Rot. Bonds16

About (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide

(9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide (PubChem CID 162673441) has the molecular formula C26H40BrNO and a molecular weight of 462.52 g/mol. Its IUPAC name is (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide
PubChem CID162673441
Molecular FormulaC26H40BrNO
Molecular Weight462.52 g/mol
Exact Mass461.23
IUPAC Name(9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C26H40BrNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)28-23(2)24-19-21-25(27)22-20-24/h7-8,10-11,19-23H,3-6,9,12-18H2,1-2H3,(H,28,29)/b8-7-,11-10-
InChIKeyOMAALWDHDPYFNP-NQLNTKRDSA-N
XLogP8.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 58.44
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 (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide 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

Melinamide
CID 20054967
N-(Phenylmethyl)hexadecanamide
CID 11198769
N-Benzyloleamide
CID 49865534
N-Benzyl-(9Z,12Z,15Z)-octadecatrienamide
CID 68741582
N-Benzyl-linoleamide
CID 68742556
(2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 10237771
3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
Bromadoline
CID 54753
3-bromo-N-(3-(tert-butylamino)propyl)benzamide
CID 78673861
N2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-(cyanomethyl)-L-leucinamide
CID 10287617
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide
CID 23550321

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide (CID 162673441) is (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide?
The InChIKey is OMAALWDHDPYFNP-NQLNTKRDSA-N. The full InChI is InChI=1S/C26H40BrNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)28-23(2)24-19-21-25(27)22-20-24/h7-8,10-11,19-23H,3-6,9,12-18H2,1-2H3,(H,28,29)/b8-7-,11-10-.
What are the key properties of (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide?
(9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide has a molecular weight of 462.52 g/mol, XLogP of 8.44, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-[1-(4-bromophenyl)ethyl]octadeca-9,12-dienamide is sourced from PubChem (CID 162673441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).