[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

C19H20ClNO4 — CID 9273522

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCCc1cccc(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C19H20ClNO4/c1-3-14-5-4-6-15(10-14)21-18(22)11-25-19(23)12-24-16-7-8-17(20)13(2)9-16/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyUOSZYEOVHOAVRG-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.77
Rot. Bonds7

About [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 9273522) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID9273522
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCCc1cccc(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C19H20ClNO4/c1-3-14-5-4-6-15(10-14)21-18(22)11-25-19(23)12-24-16-7-8-17(20)13(2)9-16/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyUOSZYEOVHOAVRG-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273717
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814066
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273551
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 43912106
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
[2-(3-bromoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 4803885
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 9273522) is [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is CCc1cccc(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is UOSZYEOVHOAVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-14-5-4-6-15(10-14)21-18(22)11-25-19(23)12-24-16-7-8-17(20)13(2)9-16/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 361.83 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 9273522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).