2-methoxyethyl 2-(4-chloroanilino)acetate

C11H14ClNO3 — CID 61302455

IUPAC2-methoxyethyl 2-(4-chloroanilino)acetate
SMILESCOCCOC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-15-6-7-16-11(14)8-13-10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3
InChIKeyBVVMOKYTELPQLU-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.94
Rot. Bonds6

About 2-methoxyethyl 2-(4-chloroanilino)acetate

2-methoxyethyl 2-(4-chloroanilino)acetate (PubChem CID 61302455) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-methoxyethyl 2-(4-chloroanilino)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(4-chloroanilino)acetate
PubChem CID61302455
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-methoxyethyl 2-(4-chloroanilino)acetate
SMILESCOCCOC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-15-6-7-16-11(14)8-13-10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3
InChIKeyBVVMOKYTELPQLU-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.94
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

2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-(4-chloroanilino)acetamide
CID 22320740
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
butyl 2-(3-chloro-4-fluoroanilino)acetate
CID 83109062
2-propoxyethyl 2-(4-methylanilino)acetate
CID 63685417
methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
CID 14882869
[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
CID 164678558
propyl 2-(3-chloroanilino)acetate
CID 60835010
butyl 2-(3-bromo-4-fluoroanilino)acetate
CID 104777302

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(4-chloroanilino)acetate?
The IUPAC name of 2-methoxyethyl 2-(4-chloroanilino)acetate (CID 61302455) is 2-methoxyethyl 2-(4-chloroanilino)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(4-chloroanilino)acetate?
The canonical SMILES for 2-methoxyethyl 2-(4-chloroanilino)acetate is COCCOC(=O)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-methoxyethyl 2-(4-chloroanilino)acetate?
The InChIKey is BVVMOKYTELPQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-6-7-16-11(14)8-13-10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3.
What are the key properties of 2-methoxyethyl 2-(4-chloroanilino)acetate?
2-methoxyethyl 2-(4-chloroanilino)acetate has a molecular weight of 243.69 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(4-chloroanilino)acetate is sourced from PubChem (CID 61302455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).