ethyl 2-(2,5-dibromoanilino)acetate

C10H11Br2NO2 — CID 61467112

IUPACethyl 2-(2,5-dibromoanilino)acetate
SMILESCCOC(=O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C10H11Br2NO2/c1-2-15-10(14)6-13-9-5-7(11)3-4-8(9)12/h3-5,13H,2,6H2,1H3
InChIKeyNQYZFBXDWHXORR-UHFFFAOYSA-N
MW337.01 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-(2,5-dibromoanilino)acetate

ethyl 2-(2,5-dibromoanilino)acetate (PubChem CID 61467112) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is ethyl 2-(2,5-dibromoanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dibromoanilino)acetate
PubChem CID61467112
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Nameethyl 2-(2,5-dibromoanilino)acetate
SMILESCCOC(=O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C10H11Br2NO2/c1-2-15-10(14)6-13-9-5-7(11)3-4-8(9)12/h3-5,13H,2,6H2,1H3
InChIKeyNQYZFBXDWHXORR-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
methyl 2-(5-bromo-2-methylanilino)acetate
CID 43806066
ethyl 2-(2-bromo-4-carbamothioylanilino)acetate
CID 82805016
ethyl 2-bromo-6-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 10592499
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate
CID 167740848
ethyl 3-(5-bromo-2-methoxyanilino)propanoate
CID 54968019
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
ethyl 2-(3-bromo-2-cyanoanilino)acetate
CID 114880656
ethyl 2-(2-ethylanilino)acetate
CID 28583397
ethyl (3S)-3-amino-3-(2,5-dibromophenyl)propanoate;hydrochloride
CID 171235056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dibromoanilino)acetate?
The IUPAC name of ethyl 2-(2,5-dibromoanilino)acetate (CID 61467112) is ethyl 2-(2,5-dibromoanilino)acetate.
What is the SMILES notation for ethyl 2-(2,5-dibromoanilino)acetate?
The canonical SMILES for ethyl 2-(2,5-dibromoanilino)acetate is CCOC(=O)CNc1cc(Br)ccc1Br.
What is the InChIKey of ethyl 2-(2,5-dibromoanilino)acetate?
The InChIKey is NQYZFBXDWHXORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-2-15-10(14)6-13-9-5-7(11)3-4-8(9)12/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-(2,5-dibromoanilino)acetate?
ethyl 2-(2,5-dibromoanilino)acetate has a molecular weight of 337.01 g/mol, XLogP of 3.19, 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-dibromoanilino)acetate is sourced from PubChem (CID 61467112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).