ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate

C11H12Cl2N2O3 — CID 139749941

IUPACethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C11H12Cl2N2O3/c1-2-18-10(16)5-15-11(17)6-3-7(12)8(13)4-9(6)14/h3-4H,2,5,14H2,1H3,(H,15,17)
InChIKeyCOYDVJKHBZVMPT-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate

ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate (PubChem CID 139749941) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
PubChem CID139749941
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Nameethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C11H12Cl2N2O3/c1-2-18-10(16)5-15-11(17)6-3-7(12)8(13)4-9(6)14/h3-4H,2,5,14H2,1H3,(H,15,17)
InChIKeyCOYDVJKHBZVMPT-UHFFFAOYSA-N
XLogP1.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 69349520
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
ethyl 2-(2-amino-4-chloro-5-fluoroanilino)acetate
CID 66079161
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate (CID 139749941) is ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(Cl)c(Cl)cc1N.
What is the InChIKey of ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
The InChIKey is COYDVJKHBZVMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-2-18-10(16)5-15-11(17)6-3-7(12)8(13)4-9(6)14/h3-4H,2,5,14H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate has a molecular weight of 291.13 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 139749941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).