[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate

C17H16BrNO4 — CID 8671963

IUPAC[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-11(17(22)19-14-6-4-13(18)5-7-14)23-16(21)10-12-2-8-15(20)9-3-12/h2-9,11,20H,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyOAYHTCWWYJOIRH-LLVKDONJSA-N
MW378.22 g/mol
LogP3.27
Rot. Bonds5

About [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate

[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate (PubChem CID 8671963) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
PubChem CID8671963
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-11(17(22)19-14-6-4-13(18)5-7-14)23-16(21)10-12-2-8-15(20)9-3-12/h2-9,11,20H,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyOAYHTCWWYJOIRH-LLVKDONJSA-N
XLogP3.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061418
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8671590
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-bromophenyl)acetate
CID 55416882
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-acetamidopropanoate
CID 7197466
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825794

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate (CID 8671963) is [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate is C[C@@H](OC(=O)Cc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate?
The InChIKey is OAYHTCWWYJOIRH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-11(17(22)19-14-6-4-13(18)5-7-14)23-16(21)10-12-2-8-15(20)9-3-12/h2-9,11,20H,10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate?
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate has a molecular weight of 378.22 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 8671963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).