(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate

C16H14BrNO4 — CID 16595671

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
SMILESNC(=O)C(OC(=O)COc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H14BrNO4/c17-12-7-4-8-13(9-12)21-10-14(19)22-15(16(18)20)11-5-2-1-3-6-11/h1-9,15H,10H2,(H2,18,20)
InChIKeyCXTQZVCEFJGVCO-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.60
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate

(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate (PubChem CID 16595671) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
PubChem CID16595671
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
SMILESNC(=O)C(OC(=O)COc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H14BrNO4/c17-12-7-4-8-13(9-12)21-10-14(19)22-15(16(18)20)11-5-2-1-3-6-11/h1-9,15H,10H2,(H2,18,20)
InChIKeyCXTQZVCEFJGVCO-UHFFFAOYSA-N
XLogP2.60
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3-bromophenoxy)acetate
CID 9416481
(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 16592345
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
N-(2-amino-2-oxo-1-phenylethyl)-4-(3-bromophenoxy)butanamide
CID 51308711
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 43038915
(2-benzylphenyl) 2-(3-bromophenoxy)acetate
CID 7935105
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7980213
(3-bromophenyl) 2,2-diphenylacetate
CID 19114604
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853562

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate (CID 16595671) is (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate is NC(=O)C(OC(=O)COc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate?
The InChIKey is CXTQZVCEFJGVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c17-12-7-4-8-13(9-12)21-10-14(19)22-15(16(18)20)11-5-2-1-3-6-11/h1-9,15H,10H2,(H2,18,20).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate?
(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate has a molecular weight of 364.20 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 16595671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).