3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide

C18H19Cl2NO4 — CID 13387095

IUPAC3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OCCOc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2NO4/c1-23-8-7-21-18(22)13-3-2-4-15(11-13)24-9-10-25-17-12-14(19)5-6-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,22)
InChIKeyJTPDRTFBBWXOBB-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.83
Rot. Bonds9

About 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide

3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide (PubChem CID 13387095) has the molecular formula C18H19Cl2NO4 and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
PubChem CID13387095
Molecular FormulaC18H19Cl2NO4
Molecular Weight384.26 g/mol
Exact Mass383.07
IUPAC Name3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OCCOc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2NO4/c1-23-8-7-21-18(22)13-3-2-4-15(11-13)24-9-10-25-17-12-14(19)5-6-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,22)
InChIKeyJTPDRTFBBWXOBB-UHFFFAOYSA-N
XLogP3.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387117
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide (CID 13387095) is 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(OCCOc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
The InChIKey is JTPDRTFBBWXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO4/c1-23-8-7-21-18(22)13-3-2-4-15(11-13)24-9-10-25-17-12-14(19)5-6-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,22).
What are the key properties of 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide has a molecular weight of 384.26 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 13387095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).