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

C19H18ClNO5 — CID 7167831

IUPACethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C19H18ClNO5/c1-3-25-19(24)14-6-4-5-7-16(14)21-18(23)11-26-17-9-8-13(20)10-15(17)12(2)22/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyQRZAVIGGSDNENR-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.74
Rot. Bonds7

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

ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate (PubChem CID 7167831) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
PubChem CID7167831
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Nameethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C19H18ClNO5/c1-3-25-19(24)14-6-4-5-7-16(14)21-18(23)11-26-17-9-8-13(20)10-15(17)12(2)22/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyQRZAVIGGSDNENR-UHFFFAOYSA-N
XLogP3.74
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 2594718
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
2-(2-acetyl-4-chlorophenoxy)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7167689
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate (CID 7167831) is ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1C(C)=O.
What is the InChIKey of ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate?
The InChIKey is QRZAVIGGSDNENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-3-25-19(24)14-6-4-5-7-16(14)21-18(23)11-26-17-9-8-13(20)10-15(17)12(2)22/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate?
ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate has a molecular weight of 375.81 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7167831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).