2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate

C18H17Cl2NO5 — CID 19169315

IUPAC2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO5/c1-24-8-9-25-18(23)12-2-5-14(6-3-12)21-17(22)11-26-16-10-13(19)4-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,22)
InChIKeyFDQCXWJHNDRMFB-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.81
Rot. Bonds8

About 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate

2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate (PubChem CID 19169315) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
PubChem CID19169315
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO5/c1-24-8-9-25-18(23)12-2-5-14(6-3-12)21-17(22)11-26-16-10-13(19)4-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,22)
InChIKeyFDQCXWJHNDRMFB-UHFFFAOYSA-N
XLogP3.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
pentyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoate
CID 19169101
2-(2,5-dichlorophenoxy)-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 46518487
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 19171776
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
2-methoxyethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55453302
N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7570532
3-methylbutyl 4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 985948

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
The IUPAC name of 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate (CID 19169315) is 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate is COCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
The InChIKey is FDQCXWJHNDRMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-24-8-9-25-18(23)12-2-5-14(6-3-12)21-17(22)11-26-16-10-13(19)4-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate has a molecular weight of 398.24 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19169315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).