ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate

C12H14BrNO3 — CID 65307374

IUPACethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H14BrNO3/c1-3-17-11(15)7-14-12(16)10-6-9(13)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyZTCURELWZJFPLU-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate

ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate (PubChem CID 65307374) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
PubChem CID65307374
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Nameethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H14BrNO3/c1-3-17-11(15)7-14-12(16)10-6-9(13)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyZTCURELWZJFPLU-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
CID 65307856
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
CID 115648997
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-2-methylbenzamide
CID 65308301
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
5-bromo-N-(2-cyano-2-methylpropyl)-2-methylbenzamide
CID 113372673

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate (CID 65307374) is ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate?
The InChIKey is ZTCURELWZJFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-3-17-11(15)7-14-12(16)10-6-9(13)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate?
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate has a molecular weight of 300.15 g/mol, XLogP of 2.05, 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-methylbenzoyl)amino]acetate is sourced from PubChem (CID 65307374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).