methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate

C18H17ClFNO4 — CID 55559807

IUPACmethyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClFNO4/c1-24-18(23)13-4-2-12(3-5-13)8-9-21-17(22)11-25-14-6-7-16(20)15(19)10-14/h2-7,10H,8-9,11H2,1H3,(H,21,22)
InChIKeyGDSQXMYZIHFTLJ-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.00
Rot. Bonds7

About methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate

methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate (PubChem CID 55559807) has the molecular formula C18H17ClFNO4 and a molecular weight of 365.79 g/mol. Its IUPAC name is methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
PubChem CID55559807
Molecular FormulaC18H17ClFNO4
Molecular Weight365.79 g/mol
Exact Mass365.08
IUPAC Namemethyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClFNO4/c1-24-18(23)13-4-2-12(3-5-13)8-9-21-17(22)11-25-14-6-7-16(20)15(19)10-14/h2-7,10H,8-9,11H2,1H3,(H,21,22)
InChIKeyGDSQXMYZIHFTLJ-UHFFFAOYSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate 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-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112778726
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
CID 7688183
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
methyl 3-chloro-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethoxy]benzoate
CID 55578270

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate (CID 55559807) is methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)COc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate?
The InChIKey is GDSQXMYZIHFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO4/c1-24-18(23)13-4-2-12(3-5-13)8-9-21-17(22)11-25-14-6-7-16(20)15(19)10-14/h2-7,10H,8-9,11H2,1H3,(H,21,22).
What are the key properties of methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate?
methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate has a molecular weight of 365.79 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate is sourced from PubChem (CID 55559807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).