methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate

C14H17ClFNO4 — CID 60714443

IUPACmethyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO4/c1-17(7-3-4-14(19)20-2)13(18)9-21-12-6-5-10(16)8-11(12)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyXOJUWYGUYWPVTH-UHFFFAOYSA-N
MW317.74 g/mol
LogP2.27
Rot. Bonds7

About methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate

methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate (PubChem CID 60714443) has the molecular formula C14H17ClFNO4 and a molecular weight of 317.74 g/mol. Its IUPAC name is methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate
PubChem CID60714443
Molecular FormulaC14H17ClFNO4
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Namemethyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO4/c1-17(7-3-4-14(19)20-2)13(18)9-21-12-6-5-10(16)8-11(12)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyXOJUWYGUYWPVTH-UHFFFAOYSA-N
XLogP2.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate 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

methyl 4-[[2-(2,4-difluorophenoxy)acetyl]-methylamino]butanoate
CID 60736752
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
CID 60652409
methyl 4-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]butanoate
CID 60714425
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
CID 18118150
methyl 4-[[2-(2,4-difluorophenyl)sulfanylacetyl]-methylamino]butanoate
CID 60714284
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]propanoic acid
CID 55097258
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
methyl 4-[[2-(4-iodophenoxy)acetyl]-methylamino]butanoate
CID 134033355
methyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]-methylamino]propanoate
CID 61031824
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate (CID 60714443) is methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate?
The InChIKey is XOJUWYGUYWPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO4/c1-17(7-3-4-14(19)20-2)13(18)9-21-12-6-5-10(16)8-11(12)15/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate?
methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate has a molecular weight of 317.74 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate is sourced from PubChem (CID 60714443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).