methyl 2-(2-bromo-N-methylanilino)acetate

C10H12BrNO2 — CID 115232844

IUPACmethyl 2-(2-bromo-N-methylanilino)acetate
SMILESCOC(=O)CN(C)c1ccccc1Br
InChIInChI=1S/C10H12BrNO2/c1-12(7-10(13)14-2)9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3
InChIKeyLZLCURPQLSJSMP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-(2-bromo-N-methylanilino)acetate

methyl 2-(2-bromo-N-methylanilino)acetate (PubChem CID 115232844) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is methyl 2-(2-bromo-N-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-N-methylanilino)acetate
PubChem CID115232844
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Namemethyl 2-(2-bromo-N-methylanilino)acetate
SMILESCOC(=O)CN(C)c1ccccc1Br
InChIInChI=1S/C10H12BrNO2/c1-12(7-10(13)14-2)9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3
InChIKeyLZLCURPQLSJSMP-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2-bromo-N-methylanilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-carbamothioyl-N-methylanilino)acetate
CID 28602163
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62006228
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
CID 62005097
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
CID 115232780
methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
CID 103994339
4-(2-bromo-N-methylanilino)-3-hydroxybutanoic acid
CID 115122991
N'-(2-bromophenyl)-N,N'-dimethylmethanediamine
CID 115226768
2-bromo-N-methyl-N-(2-methylpropyl)aniline
CID 11149184
methyl 2-(5-bromo-N-methyl-2-nitroanilino)acetate
CID 65343237
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-N-methylanilino)acetate?
The IUPAC name of methyl 2-(2-bromo-N-methylanilino)acetate (CID 115232844) is methyl 2-(2-bromo-N-methylanilino)acetate.
What is the SMILES notation for methyl 2-(2-bromo-N-methylanilino)acetate?
The canonical SMILES for methyl 2-(2-bromo-N-methylanilino)acetate is COC(=O)CN(C)c1ccccc1Br.
What is the InChIKey of methyl 2-(2-bromo-N-methylanilino)acetate?
The InChIKey is LZLCURPQLSJSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12(7-10(13)14-2)9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(2-bromo-N-methylanilino)acetate?
methyl 2-(2-bromo-N-methylanilino)acetate has a molecular weight of 258.11 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-N-methylanilino)acetate is sourced from PubChem (CID 115232844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).