ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate

C12H13Br2NO3 — CID 114372027

IUPACethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2NO3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyROJMALZKMUGHBO-UHFFFAOYSA-N
MW379.05 g/mol
LogP2.89
Rot. Bonds4

About ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate

ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate (PubChem CID 114372027) has the molecular formula C12H13Br2NO3 and a molecular weight of 379.05 g/mol. Its IUPAC name is ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
PubChem CID114372027
Molecular FormulaC12H13Br2NO3
Molecular Weight379.05 g/mol
Exact Mass376.93
IUPAC Nameethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2NO3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyROJMALZKMUGHBO-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
methyl 2-[(2-bromo-5-methylbenzoyl)amino]propanoate
CID 81109488
methyl 2-[(2,5-dibromobenzoyl)amino]-3-methylbutanoate
CID 114370220
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
hexadecyl 2-[(2-bromobenzoyl)amino]propanoate
CID 6425550
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate (CID 114372027) is ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate?
The InChIKey is ROJMALZKMUGHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate?
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate has a molecular weight of 379.05 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate is sourced from PubChem (CID 114372027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).