methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate

C10H9Cl2NO4 — CID 86120653

IUPACmethyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
SMILESCOC(=O)CONC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-16-9(14)5-17-13-10(15)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeySHBLTNBSBMHOAN-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate

methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate (PubChem CID 86120653) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
PubChem CID86120653
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Namemethyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
SMILESCOC(=O)CONC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-16-9(14)5-17-13-10(15)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeySHBLTNBSBMHOAN-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
methyl 6-(2,4-dichlorophenyl)-6-oxohexanoate
CID 146009606
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
CID 112551004
methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate
CID 54434965
3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
CID 134094710
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate
CID 54120863
2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
CID 68576201

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate?
The IUPAC name of methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate (CID 86120653) is methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate.
What is the SMILES notation for methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate?
The canonical SMILES for methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate is COC(=O)CONC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate?
The InChIKey is SHBLTNBSBMHOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-16-9(14)5-17-13-10(15)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate?
methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate has a molecular weight of 278.09 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate is sourced from PubChem (CID 86120653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).