methyl 2-(2-bromo-4-chloroanilino)acetate

C9H9BrClNO2 — CID 80978880

IUPACmethyl 2-(2-bromo-4-chloroanilino)acetate
SMILESCOC(=O)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9(13)5-12-8-3-2-6(11)4-7(8)10/h2-4,12H,5H2,1H3
InChIKeyMWCWLSVEEKIZGZ-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.69
Rot. Bonds3

About methyl 2-(2-bromo-4-chloroanilino)acetate

methyl 2-(2-bromo-4-chloroanilino)acetate (PubChem CID 80978880) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is methyl 2-(2-bromo-4-chloroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-4-chloroanilino)acetate
PubChem CID80978880
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Namemethyl 2-(2-bromo-4-chloroanilino)acetate
SMILESCOC(=O)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9(13)5-12-8-3-2-6(11)4-7(8)10/h2-4,12H,5H2,1H3
InChIKeyMWCWLSVEEKIZGZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
2-bromo-4-chloro-N-(2-methylidenebutyl)aniline
CID 81271581
3-(2-bromo-4-chloroanilino)-N-methylpropanamide
CID 81270766
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate
CID 47064206
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide
CID 81270434
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
methyl 5-[(2-bromo-4-chloroanilino)methyl]furan-3-carboxylate
CID 104609130
methyl 3-[(2-bromo-4-chlorophenyl)sulfamoyl-methylamino]propanoate
CID 81264072
2-(2-bromo-4-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81271166

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-4-chloroanilino)acetate?
The IUPAC name of methyl 2-(2-bromo-4-chloroanilino)acetate (CID 80978880) is methyl 2-(2-bromo-4-chloroanilino)acetate.
What is the SMILES notation for methyl 2-(2-bromo-4-chloroanilino)acetate?
The canonical SMILES for methyl 2-(2-bromo-4-chloroanilino)acetate is COC(=O)CNc1ccc(Cl)cc1Br.
What is the InChIKey of methyl 2-(2-bromo-4-chloroanilino)acetate?
The InChIKey is MWCWLSVEEKIZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-14-9(13)5-12-8-3-2-6(11)4-7(8)10/h2-4,12H,5H2,1H3.
What are the key properties of methyl 2-(2-bromo-4-chloroanilino)acetate?
methyl 2-(2-bromo-4-chloroanilino)acetate has a molecular weight of 278.53 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-4-chloroanilino)acetate is sourced from PubChem (CID 80978880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).