ethyl 2-(5-bromo-2-methylanilino)acetate

C11H14BrNO2 — CID 43806067

IUPACethyl 2-(5-bromo-2-methylanilino)acetate
SMILESCCOC(=O)CNc1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)7-13-10-6-9(12)5-4-8(10)2/h4-6,13H,3,7H2,1-2H3
InChIKeyPXUBWEGZJBOKTR-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.73
Rot. Bonds4

About ethyl 2-(5-bromo-2-methylanilino)acetate

ethyl 2-(5-bromo-2-methylanilino)acetate (PubChem CID 43806067) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-methylanilino)acetate
PubChem CID43806067
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-(5-bromo-2-methylanilino)acetate
SMILESCCOC(=O)CNc1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)7-13-10-6-9(12)5-4-8(10)2/h4-6,13H,3,7H2,1-2H3
InChIKeyPXUBWEGZJBOKTR-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,5-dibromoanilino)acetate
CID 61467112
methyl 2-(5-bromo-2-methylanilino)acetate
CID 43806066
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
ethyl 3-(5-bromo-2-methoxyanilino)propanoate
CID 54968019
3-(5-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643996
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
ethyl 4-(5-butoxy-2-methylanilino)-3-oxobutanoate
CID 176638090

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-methylanilino)acetate?
The IUPAC name of ethyl 2-(5-bromo-2-methylanilino)acetate (CID 43806067) is ethyl 2-(5-bromo-2-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-methylanilino)acetate?
The canonical SMILES for ethyl 2-(5-bromo-2-methylanilino)acetate is CCOC(=O)CNc1cc(Br)ccc1C.
What is the InChIKey of ethyl 2-(5-bromo-2-methylanilino)acetate?
The InChIKey is PXUBWEGZJBOKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-15-11(14)7-13-10-6-9(12)5-4-8(10)2/h4-6,13H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(5-bromo-2-methylanilino)acetate?
ethyl 2-(5-bromo-2-methylanilino)acetate has a molecular weight of 272.14 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-methylanilino)acetate is sourced from PubChem (CID 43806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).