methyl 2-(3,5-dichloroanilino)acetate

C9H9Cl2NO2 — CID 28576225

IUPACmethyl 2-(3,5-dichloroanilino)acetate
SMILESCOC(=O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyFSAANGDKOPJKMR-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.58
Rot. Bonds3

About methyl 2-(3,5-dichloroanilino)acetate

methyl 2-(3,5-dichloroanilino)acetate (PubChem CID 28576225) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 2-(3,5-dichloroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichloroanilino)acetate
PubChem CID28576225
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 2-(3,5-dichloroanilino)acetate
SMILESCOC(=O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyFSAANGDKOPJKMR-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
2-(3,5-dichloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26417629
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline
CID 106437333
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichloroanilino)acetate?
The IUPAC name of methyl 2-(3,5-dichloroanilino)acetate (CID 28576225) is methyl 2-(3,5-dichloroanilino)acetate.
What is the SMILES notation for methyl 2-(3,5-dichloroanilino)acetate?
The canonical SMILES for methyl 2-(3,5-dichloroanilino)acetate is COC(=O)CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-(3,5-dichloroanilino)acetate?
The InChIKey is FSAANGDKOPJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-9(13)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3.
What are the key properties of methyl 2-(3,5-dichloroanilino)acetate?
methyl 2-(3,5-dichloroanilino)acetate has a molecular weight of 234.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichloroanilino)acetate is sourced from PubChem (CID 28576225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).