[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate

C11H12ClNO4 — CID 154313785

IUPAC[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
SMILESCC(=O)ONC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H12ClNO4/c1-7-5-9(12)3-4-10(7)16-6-11(15)13-17-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyKGKMESDCNMAFOH-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.62
Rot. Bonds3

About [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate

[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate (PubChem CID 154313785) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate.

Molecular Properties

Compound Name[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
PubChem CID154313785
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
SMILESCC(=O)ONC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H12ClNO4/c1-7-5-9(12)3-4-10(7)16-6-11(15)13-17-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyKGKMESDCNMAFOH-UHFFFAOYSA-N
XLogP1.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate 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

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084

Frequently Asked Questions

What is the IUPAC name of [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate?
The IUPAC name of [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate (CID 154313785) is [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate.
What is the SMILES notation for [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate?
The canonical SMILES for [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate is CC(=O)ONC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate?
The InChIKey is KGKMESDCNMAFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-7-5-9(12)3-4-10(7)16-6-11(15)13-17-8(2)14/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate?
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate has a molecular weight of 257.67 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate is sourced from PubChem (CID 154313785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).