ethyl 2-(2,5-dibromoanilino)-2-phenylacetate

C16H15Br2NO2 — CID 106677188

IUPACethyl 2-(2,5-dibromoanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C16H15Br2NO2/c1-2-21-16(20)15(11-6-4-3-5-7-11)19-14-10-12(17)8-9-13(14)18/h3-10,15,19H,2H2,1H3
InChIKeyNHWRJLQZCKXCFT-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.93
Rot. Bonds5

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

ethyl 2-(2,5-dibromoanilino)-2-phenylacetate (PubChem CID 106677188) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is ethyl 2-(2,5-dibromoanilino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dibromoanilino)-2-phenylacetate
PubChem CID106677188
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Nameethyl 2-(2,5-dibromoanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C16H15Br2NO2/c1-2-21-16(20)15(11-6-4-3-5-7-11)19-14-10-12(17)8-9-13(14)18/h3-10,15,19H,2H2,1H3
InChIKeyNHWRJLQZCKXCFT-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-(2,5-dibromoanilino)acetate
CID 61467112
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-[anilino-(4-bromophenyl)methyl]prop-2-enoate
CID 123595092
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
ethyl 3-(4-bromoanilino)-2-hydroxy-3-phenylpropanoate
CID 75062409
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dibromoanilino)-2-phenylacetate?
The IUPAC name of ethyl 2-(2,5-dibromoanilino)-2-phenylacetate (CID 106677188) is ethyl 2-(2,5-dibromoanilino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(2,5-dibromoanilino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(2,5-dibromoanilino)-2-phenylacetate is CCOC(=O)C(Nc1cc(Br)ccc1Br)c1ccccc1.
What is the InChIKey of ethyl 2-(2,5-dibromoanilino)-2-phenylacetate?
The InChIKey is NHWRJLQZCKXCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-2-21-16(20)15(11-6-4-3-5-7-11)19-14-10-12(17)8-9-13(14)18/h3-10,15,19H,2H2,1H3.
What are the key properties of ethyl 2-(2,5-dibromoanilino)-2-phenylacetate?
ethyl 2-(2,5-dibromoanilino)-2-phenylacetate has a molecular weight of 413.11 g/mol, XLogP of 4.93, 5 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)-2-phenylacetate is sourced from PubChem (CID 106677188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).