ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate

C12H14BrNO3 — CID 47257656

IUPACethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(Br)cc1C
InChIInChI=1S/C12H14BrNO3/c1-3-17-11(15)7-14-12(16)10-5-4-9(13)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyZSDSILJLXXBYCD-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate

ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate (PubChem CID 47257656) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
PubChem CID47257656
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Nameethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(Br)cc1C
InChIInChI=1S/C12H14BrNO3/c1-3-17-11(15)7-14-12(16)10-5-4-9(13)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyZSDSILJLXXBYCD-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-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
4-bromo-N-(2-cyano-2-methylpropyl)-2-methylbenzamide
CID 113372737
ethyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]acetate
CID 47257649
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate (CID 47257656) is ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(Br)cc1C.
What is the InChIKey of ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate?
The InChIKey is ZSDSILJLXXBYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-3-17-11(15)7-14-12(16)10-5-4-9(13)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate?
ethyl 2-[(4-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-[(4-bromo-2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 47257656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).