(2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate

C10H9Cl2NO4 — CID 61320846

IUPAC(2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate
SMILESCOC(=O)COC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO4/c1-16-8(14)4-17-10(15)5-2-6(11)9(12)7(13)3-5/h2-3H,4,13H2,1H3
InChIKeyWLCZGZCJEXWZNN-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.91
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate

(2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate (PubChem CID 61320846) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate
PubChem CID61320846
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name(2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate
SMILESCOC(=O)COC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO4/c1-16-8(14)4-17-10(15)5-2-6(11)9(12)7(13)3-5/h2-3H,4,13H2,1H3
InChIKeyWLCZGZCJEXWZNN-UHFFFAOYSA-N
XLogP1.91
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methoxypropylamino)-2-oxoethyl] 3-amino-4,5-dichlorobenzoate
CID 61486880
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-4,5-dichlorobenzoate
CID 61320652
butyl 3-amino-4,5-dichlorobenzoate
CID 56828506
2-fluoroethyl 3-amino-4,5-dichlorobenzoate
CID 80695464
octyl 3-amino-4,5-dichlorobenzoate
CID 63446891
3-(3-amino-4,5-dichlorobenzoyl)oxy-2,2-dimethylpropanoic acid
CID 79621900
(2-oxo-2-piperidin-1-ylethyl) 3-amino-4,5-dichlorobenzoate
CID 61322937
(2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate
CID 30036322
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-amino-4,5-dichlorobenzoate
CID 61322559
ethyl 3,4,5-trichlorobenzoate
CID 14692896
CID 172688243
CID 172688243
3-phenylpropyl 3-amino-4,5-dichlorobenzoate
CID 63450185

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate (CID 61320846) is (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate is COC(=O)COC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate?
The InChIKey is WLCZGZCJEXWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-16-8(14)4-17-10(15)5-2-6(11)9(12)7(13)3-5/h2-3H,4,13H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate?
(2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate has a molecular weight of 278.09 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate is sourced from PubChem (CID 61320846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).