ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate

C23H20ClNO4 — CID 7653195

IUPACethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClNO4/c1-2-28-23(27)18-10-6-7-11-20(18)25-22(26)15-29-21-13-12-17(14-19(21)24)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,25,26)
InChIKeyYFYVAECTONUABO-UHFFFAOYSA-N
MW409.87 g/mol
LogP5.20
Rot. Bonds7

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

ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate (PubChem CID 7653195) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
PubChem CID7653195
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Nameethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClNO4/c1-2-28-23(27)18-10-6-7-11-20(18)25-22(26)15-29-21-13-12-17(14-19(21)24)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,25,26)
InChIKeyYFYVAECTONUABO-UHFFFAOYSA-N
XLogP5.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.87
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
CID 7167831
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108955430
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270938

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate (CID 7653195) is ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate?
The InChIKey is YFYVAECTONUABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-2-28-23(27)18-10-6-7-11-20(18)25-22(26)15-29-21-13-12-17(14-19(21)24)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,25,26).
What are the key properties of ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate?
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate has a molecular weight of 409.87 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7653195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).