ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate

C14H17Cl2NO4 — CID 171623851

IUPACethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO4/c1-3-20-12(18)8-17(9-13(19)21-4-2)14-10(15)6-5-7-11(14)16/h5-7H,3-4,8-9H2,1-2H3
InChIKeyQZTIYPOLBOKZAA-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.93
Rot. Bonds7

About ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate

ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate (PubChem CID 171623851) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
PubChem CID171623851
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Nameethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO4/c1-3-20-12(18)8-17(9-13(19)21-4-2)14-10(15)6-5-7-11(14)16/h5-7H,3-4,8-9H2,1-2H3
InChIKeyQZTIYPOLBOKZAA-UHFFFAOYSA-N
XLogP2.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate
CID 57065804
ethyl 2-(2-carbamothioyl-3-chloro-N-ethylanilino)acetate
CID 62496013
ethyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate
CID 3462065
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
CID 50892384
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
ethyl 2-(3-chloro-2-cyano-N-methylanilino)acetate
CID 62496387
ethyl 3-(2,6-dichlorophenyl)butanoate
CID 145081083
ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
CID 62006591
ethyl 2-(2-carbamothioyl-N-ethyl-6-methylanilino)acetate
CID 107108088
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate?
The IUPAC name of ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate (CID 171623851) is ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate?
The canonical SMILES for ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate is CCOC(=O)CN(CC(=O)OCC)c1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate?
The InChIKey is QZTIYPOLBOKZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-3-20-12(18)8-17(9-13(19)21-4-2)14-10(15)6-5-7-11(14)16/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate?
ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate has a molecular weight of 334.20 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate is sourced from PubChem (CID 171623851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).