[(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate

C17H15Cl2NO4 — CID 67848828

IUPAC[(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate
SMILESCCNC(=O)O/C=C/Oc1ccc(Oc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-2-20-17(21)23-9-8-22-16-7-6-14(11-15(16)19)24-13-5-3-4-12(18)10-13/h3-11H,2H2,1H3,(H,20,21)/b9-8+
InChIKeyUXNMHKZDQUBEBS-CMDGGOBGSA-N
MW368.22 g/mol
LogP5.38
Rot. Bonds6

About [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate

[(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate (PubChem CID 67848828) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate
PubChem CID67848828
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name[(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate
SMILESCCNC(=O)O/C=C/Oc1ccc(Oc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-2-20-17(21)23-9-8-22-16-7-6-14(11-15(16)19)24-13-5-3-4-12(18)10-13/h3-11H,2H2,1H3,(H,20,21)/b9-8+
InChIKeyUXNMHKZDQUBEBS-CMDGGOBGSA-N
XLogP5.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.22
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate 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

butan-2-yl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 54238460
but-3-yn-2-yl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 54420868
2-bromoethyl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 18966710
2-methylbut-3-yn-2-yl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 18966722
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
CID 12941937
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate?
The IUPAC name of [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate (CID 67848828) is [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate.
What is the SMILES notation for [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate?
The canonical SMILES for [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate is CCNC(=O)O/C=C/Oc1ccc(Oc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate?
The InChIKey is UXNMHKZDQUBEBS-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-2-20-17(21)23-9-8-22-16-7-6-14(11-15(16)19)24-13-5-3-4-12(18)10-13/h3-11H,2H2,1H3,(H,20,21)/b9-8+.
What are the key properties of [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate?
[(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate has a molecular weight of 368.22 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethenyl] N-ethylcarbamate is sourced from PubChem (CID 67848828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).