methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate

C16H14ClNO4 — CID 721359

IUPACmethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO4/c1-21-16(20)13-4-2-3-5-14(13)18-15(19)10-22-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyAWXAWMBJMXVXBJ-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.14
Rot. Bonds5

About methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate

methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate (PubChem CID 721359) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
PubChem CID721359
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Namemethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO4/c1-21-16(20)13-4-2-3-5-14(13)18-15(19)10-22-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyAWXAWMBJMXVXBJ-UHFFFAOYSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
CID 7951075
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate (CID 721359) is methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
The InChIKey is AWXAWMBJMXVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-21-16(20)13-4-2-3-5-14(13)18-15(19)10-22-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate has a molecular weight of 319.74 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 721359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).