[2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate

C15H11Br2NO3 — CID 2397695

IUPAC[2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate
SMILESO=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H11Br2NO3/c16-11-7-5-10(6-8-11)15(20)21-9-14(19)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,19)
InChIKeyFGDOLTVQJRHUQY-UHFFFAOYSA-N
MW413.07 g/mol
LogP4.01
Rot. Bonds4

About [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate

[2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate (PubChem CID 2397695) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate
PubChem CID2397695
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate
SMILESO=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H11Br2NO3/c16-11-7-5-10(6-8-11)15(20)21-9-14(19)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,19)
InChIKeyFGDOLTVQJRHUQY-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Fluorophenyl)amino]-2-oxoethyl 2-bromobenzoate
CID 1667614
[2-(4-Fluoroanilino)-2-oxoethyl] 2-bromobenzoate
CID 1711221
2-Bromobenzyl 4-(acetylamino)benzoate
CID 2233747
2-(4-Methylphenyl)-2-oxoethyl 3-[(4-bromobenzoyl)amino]benzoate
CID 1216564
2-(4-Bromophenyl)-2-oxoethyl 3-[(4-bromobenzoyl)amino]benzoate
CID 4603519
2-[(4-bromophenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide
CID 25066135
2-(4-Bromo-2-fluoroanilino)-2-oxoethyl 2-aminobenzoate
CID 1006913
2-(4-Bromophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate
CID 1100770
2-(Benzylamino)-2-oxoethyl 4-bromobenzoate
CID 2357319
[2-(2-Bromoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2400711
[2-(2-Bromo-4-nitroanilino)-2-oxo-1-phenylethyl] benzoate
CID 3548272
[1-[(4-Nitrophenyl)carbamoyl]cyclohexyl] 4-bromobenzoate
CID 155525217

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate (CID 2397695) is [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate is O=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate?
The InChIKey is FGDOLTVQJRHUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c16-11-7-5-10(6-8-11)15(20)21-9-14(19)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,19).
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate?
[2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate has a molecular weight of 413.07 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-2-oxoethyl] 4-bromobenzoate is sourced from PubChem (CID 2397695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).