methyl 3-(2-bromo-3-chloroanilino)propanoate

C10H11BrClNO2 — CID 103479005

IUPACmethyl 3-(2-bromo-3-chloroanilino)propanoate
SMILESCOC(=O)CCNc1cccc(Cl)c1Br
InChIInChI=1S/C10H11BrClNO2/c1-15-9(14)5-6-13-8-4-2-3-7(12)10(8)11/h2-4,13H,5-6H2,1H3
InChIKeyHNCGQLRLBOFJDF-UHFFFAOYSA-N
MW292.56 g/mol
LogP3.08
Rot. Bonds4

About methyl 3-(2-bromo-3-chloroanilino)propanoate

methyl 3-(2-bromo-3-chloroanilino)propanoate (PubChem CID 103479005) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is methyl 3-(2-bromo-3-chloroanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-bromo-3-chloroanilino)propanoate
PubChem CID103479005
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Namemethyl 3-(2-bromo-3-chloroanilino)propanoate
SMILESCOC(=O)CCNc1cccc(Cl)c1Br
InChIInChI=1S/C10H11BrClNO2/c1-15-9(14)5-6-13-8-4-2-3-7(12)10(8)11/h2-4,13H,5-6H2,1H3
InChIKeyHNCGQLRLBOFJDF-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
CID 103480162
methyl 6-(3-chloro-2-methylanilino)hexanoate
CID 82538903
methyl 3-(2-methylanilino)propanoate
CID 12805940
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
methyl 3-(2-ethenylanilino)propanoate
CID 174296547
3-(2-bromo-3-chloroanilino)-2,2-dimethylpropanoic acid
CID 103479091
N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide
CID 103479902
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
N'-(2-bromo-3-chlorophenyl)propane-1,3-diamine
CID 103478055
2-bromo-N-[(E)-but-2-enyl]-3-chloroaniline
CID 107899336
methyl 3-[2-(aminomethyl)anilino]propanoate
CID 69214017
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-bromo-3-chloroanilino)propanoate?
The IUPAC name of methyl 3-(2-bromo-3-chloroanilino)propanoate (CID 103479005) is methyl 3-(2-bromo-3-chloroanilino)propanoate.
What is the SMILES notation for methyl 3-(2-bromo-3-chloroanilino)propanoate?
The canonical SMILES for methyl 3-(2-bromo-3-chloroanilino)propanoate is COC(=O)CCNc1cccc(Cl)c1Br.
What is the InChIKey of methyl 3-(2-bromo-3-chloroanilino)propanoate?
The InChIKey is HNCGQLRLBOFJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-15-9(14)5-6-13-8-4-2-3-7(12)10(8)11/h2-4,13H,5-6H2,1H3.
What are the key properties of methyl 3-(2-bromo-3-chloroanilino)propanoate?
methyl 3-(2-bromo-3-chloroanilino)propanoate has a molecular weight of 292.56 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-bromo-3-chloroanilino)propanoate is sourced from PubChem (CID 103479005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).