ethyl 2-(4-bromo-N-methylanilino)acetate

C11H14BrNO2 — CID 102265686

IUPACethyl 2-(4-bromo-N-methylanilino)acetate
SMILESCCOC(=O)CN(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)8-13(2)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyQNHVZOOSTHTYAQ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-(4-bromo-N-methylanilino)acetate

ethyl 2-(4-bromo-N-methylanilino)acetate (PubChem CID 102265686) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 2-(4-bromo-N-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-N-methylanilino)acetate
PubChem CID102265686
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-(4-bromo-N-methylanilino)acetate
SMILESCCOC(=O)CN(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)8-13(2)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyQNHVZOOSTHTYAQ-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate
CID 143002965
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
ethyl N-(4-bromophenyl)-N-methylcarbamate
CID 131862849
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
ethyl 2-(5-bromo-2-cyano-N-methylanilino)acetate
CID 114901626
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115257264
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
ethyl 2-(N-(4-bromophenyl)sulfonyl-4-iodoanilino)acetate
CID 50891070
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
CID 115257335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-N-methylanilino)acetate?
The IUPAC name of ethyl 2-(4-bromo-N-methylanilino)acetate (CID 102265686) is ethyl 2-(4-bromo-N-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-N-methylanilino)acetate?
The canonical SMILES for ethyl 2-(4-bromo-N-methylanilino)acetate is CCOC(=O)CN(C)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-(4-bromo-N-methylanilino)acetate?
The InChIKey is QNHVZOOSTHTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-15-11(14)8-13(2)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-bromo-N-methylanilino)acetate?
ethyl 2-(4-bromo-N-methylanilino)acetate has a molecular weight of 272.14 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-N-methylanilino)acetate is sourced from PubChem (CID 102265686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).