[2-(2-bromoanilino)-2-oxoethyl] benzoate

C15H12BrNO3 — CID 2397614

IUPAC[2-(2-bromoanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H12BrNO3/c16-12-8-4-5-9-13(12)17-14(18)10-20-15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyICBQLIPEJNUBHJ-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.24
Rot. Bonds4

About [2-(2-bromoanilino)-2-oxoethyl] benzoate

[2-(2-bromoanilino)-2-oxoethyl] benzoate (PubChem CID 2397614) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl] benzoate
PubChem CID2397614
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H12BrNO3/c16-12-8-4-5-9-13(12)17-14(18)10-20-15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyICBQLIPEJNUBHJ-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.24
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-(2,4-Difluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2437621
2-(4-Methylphenyl)-2-oxoethyl 3-[(4-bromobenzoyl)amino]benzoate
CID 1216564
2-(4-Bromophenyl)-2-oxoethyl 3-[(4-bromobenzoyl)amino]benzoate
CID 4603519
Methyl 2-[(2-acetyloxyacetyl)amino]benzoate
CID 2391092
2-(4-Bromo-2-fluoroanilino)-2-oxoethyl 2-aminobenzoate
CID 1006913
2-(4-Bromophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate
CID 1100770
[2-(2-Bromoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2400711
Ethyl 3-{[ethoxy(oxo)acetyl]amino}benzoate
CID 2905464
[2-(2-Bromo-4-nitroanilino)-2-oxo-1-phenylethyl] benzoate
CID 3548272

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] benzoate (CID 2397614) is [2-(2-bromoanilino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl] benzoate?
The InChIKey is ICBQLIPEJNUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-12-8-4-5-9-13(12)17-14(18)10-20-15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18).
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl] benzoate?
[2-(2-bromoanilino)-2-oxoethyl] benzoate has a molecular weight of 334.17 g/mol, XLogP of 3.24, 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] benzoate is sourced from PubChem (CID 2397614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).