ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate

C19H20ClNO5 — CID 39269639

IUPACethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H20ClNO5/c1-3-24-19(23)12-25-16-6-4-5-15(10-16)21-18(22)11-26-17-8-7-14(20)9-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyFPDBUILTRXFEJK-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.61
Rot. Bonds8

About ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate

ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate (PubChem CID 39269639) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
PubChem CID39269639
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Nameethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H20ClNO5/c1-3-24-19(23)12-25-16-6-4-5-15(10-16)21-18(22)11-26-17-8-7-14(20)9-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyFPDBUILTRXFEJK-UHFFFAOYSA-N
XLogP3.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
ethyl 2-[3-[3-(5-chloro-2-methoxyanilino)propanoylamino]phenoxy]acetate
CID 47824982
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate (CID 39269639) is ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1.
What is the InChIKey of ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate?
The InChIKey is FPDBUILTRXFEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-3-24-19(23)12-25-16-6-4-5-15(10-16)21-18(22)11-26-17-8-7-14(20)9-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate?
ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate has a molecular weight of 377.82 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 39269639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).