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

C11H11BrFNO3 — CID 47257275

IUPACethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFNO3/c1-2-17-10(15)6-14-11(16)8-5-7(13)3-4-9(8)12/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeyKVHOBIVTNRAAED-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.88
Rot. Bonds4

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

ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate (PubChem CID 47257275) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
PubChem CID47257275
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Nameethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFNO3/c1-2-17-10(15)6-14-11(16)8-5-7(13)3-4-9(8)12/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeyKVHOBIVTNRAAED-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
ethyl 2-[[5-fluoro-2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetate
CID 60820951
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
CID 66169373
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate (CID 47257275) is ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate?
The InChIKey is KVHOBIVTNRAAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-2-17-10(15)6-14-11(16)8-5-7(13)3-4-9(8)12/h3-5H,2,6H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate?
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate has a molecular weight of 304.12 g/mol, XLogP of 1.88, 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-5-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 47257275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).