[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C19H17Cl2NO5 — CID 9270722

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2NO5/c1-2-26-14-6-3-12(4-7-14)17(23)11-27-18(24)10-22-19(25)15-8-5-13(20)9-16(15)21/h3-9H,2,10-11H2,1H3,(H,22,25)
InChIKeyLOHUDYQUISDCEF-UHFFFAOYSA-N
MW410.25 g/mol
LogP3.55
Rot. Bonds8

About [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 9270722) has the molecular formula C19H17Cl2NO5 and a molecular weight of 410.25 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID9270722
Molecular FormulaC19H17Cl2NO5
Molecular Weight410.25 g/mol
Exact Mass409.05
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2NO5/c1-2-26-14-6-3-12(4-7-14)17(23)11-27-18(24)10-22-19(25)15-8-5-13(20)9-16(15)21/h3-9H,2,10-11H2,1H3,(H,22,25)
InChIKeyLOHUDYQUISDCEF-UHFFFAOYSA-N
XLogP3.55
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885033
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270753
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651131

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 9270722) is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is CCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is LOHUDYQUISDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO5/c1-2-26-14-6-3-12(4-7-14)17(23)11-27-18(24)10-22-19(25)15-8-5-13(20)9-16(15)21/h3-9H,2,10-11H2,1H3,(H,22,25).
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 410.25 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 9270722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).