(2,6-dichloroanilino) acetate

C8H7Cl2NO2 — CID 22163993

IUPAC(2,6-dichloroanilino) acetate
SMILESCC(=O)ONc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-5(12)13-11-8-6(9)3-2-4-7(8)10/h2-4,11H,1H3
InChIKeyVCUGMJICJOIRSA-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.88
Rot. Bonds2

About (2,6-dichloroanilino) acetate

(2,6-dichloroanilino) acetate (PubChem CID 22163993) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is (2,6-dichloroanilino) acetate.

Molecular Properties

Compound Name(2,6-dichloroanilino) acetate
PubChem CID22163993
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name(2,6-dichloroanilino) acetate
SMILESCC(=O)ONc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-5(12)13-11-8-6(9)3-2-4-7(8)10/h2-4,11H,1H3
InChIKeyVCUGMJICJOIRSA-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4,5-isoxazoledione 4-[(2,6-dichlorophenyl)hydrazone]
CID 1219172
2,6-Dichlorophenylhydroxylamine
CID 13049949
(2,4,6-Trichlorophenyl)azanium;2,2,2-trifluoroacetate
CID 71673342
(3-Chloro-4-fluoroanilino) acetate
CID 174747227
2,4,6-Trichloroaniline;2,2,2-trifluoroacetic acid
CID 171927872
2,4-dichloro-N-methoxyaniline
CID 53672148
Acetic acid;2,5-dichloroaniline
CID 68125424
Acetic acid;2-chloroaniline
CID 70203056
(2-Chloroanilino) acetate
CID 85882570
(2,4-Dichloroanilino) 3-sulfanylpropanoate
CID 88616478
(4-Chloroanilino) 2-chloroacetate
CID 88645295
(3,5-Dichloroanilino) 2-chloro-2-methylpropanoate
CID 88800627

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloroanilino) acetate?
The IUPAC name of (2,6-dichloroanilino) acetate (CID 22163993) is (2,6-dichloroanilino) acetate.
What is the SMILES notation for (2,6-dichloroanilino) acetate?
The canonical SMILES for (2,6-dichloroanilino) acetate is CC(=O)ONc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichloroanilino) acetate?
The InChIKey is VCUGMJICJOIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-5(12)13-11-8-6(9)3-2-4-7(8)10/h2-4,11H,1H3.
What are the key properties of (2,6-dichloroanilino) acetate?
(2,6-dichloroanilino) acetate has a molecular weight of 220.06 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloroanilino) acetate is sourced from PubChem (CID 22163993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).