ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate

C17H16ClNO4 — CID 707265

IUPACethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO4/c1-2-22-17(21)12-6-5-7-13(10-12)19-16(20)11-23-15-9-4-3-8-14(15)18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyNABWAOYNXLAUGL-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.53
Rot. Bonds6

About ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate

ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate (PubChem CID 707265) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
PubChem CID707265
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Nameethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO4/c1-2-22-17(21)12-6-5-7-13(10-12)19-16(20)11-23-15-9-4-3-8-14(15)18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyNABWAOYNXLAUGL-UHFFFAOYSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate (CID 707265) is ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1.
What is the InChIKey of ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
The InChIKey is NABWAOYNXLAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-2-22-17(21)12-6-5-7-13(10-12)19-16(20)11-23-15-9-4-3-8-14(15)18/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2-chlorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 707265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).