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

C19H20ClNO4 — CID 9404407

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCCN(C(=O)COC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C19H20ClNO4/c1-3-21(15-7-5-4-6-8-15)18(22)12-25-19(23)13-24-16-9-10-17(20)14(2)11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyPBBWWNDOUGLTST-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.62
Rot. Bonds7

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

[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 9404407) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID9404407
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCCN(C(=O)COC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C19H20ClNO4/c1-3-21(15-7-5-4-6-8-15)18(22)12-25-19(23)13-24-16-9-10-17(20)14(2)11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyPBBWWNDOUGLTST-UHFFFAOYSA-N
XLogP3.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate with MolForge

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404344
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide
CID 2115460
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519168
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519166
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
CID 55318197
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 9404407) is [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is CCN(C(=O)COC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is PBBWWNDOUGLTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-21(15-7-5-4-6-8-15)18(22)12-25-19(23)13-24-16-9-10-17(20)14(2)11-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 361.83 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 9404407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).