ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate

C12H14BrNO3 — CID 103853398

IUPACethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C12H14BrNO3/c1-3-17-10(15)7-14-12(16)9-6-4-5-8(2)11(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyJLLAOMFTVGPBRT-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate

ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate (PubChem CID 103853398) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
PubChem CID103853398
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Nameethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C12H14BrNO3/c1-3-17-10(15)7-14-12(16)9-6-4-5-8(2)11(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyJLLAOMFTVGPBRT-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-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
CID 106254833
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
CID 107981467
2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide
CID 166001059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate (CID 103853398) is ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cccc(C)c1Br.
What is the InChIKey of ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate?
The InChIKey is JLLAOMFTVGPBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-3-17-10(15)7-14-12(16)9-6-4-5-8(2)11(9)13/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate?
ethyl 2-[(2-bromo-3-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-[(2-bromo-3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 103853398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).