[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate

C19H18BrNO4 — CID 2175918

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate
SMILESC[C@@H](OC(=O)CCC(=O)Nc1ccc(Br)cc1)C(=O)c1ccccc1
InChIInChI=1S/C19H18BrNO4/c1-13(19(24)14-5-3-2-4-6-14)25-18(23)12-11-17(22)21-16-9-7-15(20)8-10-16/h2-10,13H,11-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyUFYYFKYWGDBIPZ-CYBMUJFWSA-N
MW404.26 g/mol
LogP3.98
Rot. Bonds7

About [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate

[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate (PubChem CID 2175918) has the molecular formula C19H18BrNO4 and a molecular weight of 404.26 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate
PubChem CID2175918
Molecular FormulaC19H18BrNO4
Molecular Weight404.26 g/mol
Exact Mass403.04
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate
SMILESC[C@@H](OC(=O)CCC(=O)Nc1ccc(Br)cc1)C(=O)c1ccccc1
InChIInChI=1S/C19H18BrNO4/c1-13(19(24)14-5-3-2-4-6-14)25-18(23)12-11-17(22)21-16-9-7-15(20)8-10-16/h2-10,13H,11-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyUFYYFKYWGDBIPZ-CYBMUJFWSA-N
XLogP3.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-nitroanilino)-4-oxobutanoate
CID 7182360
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-[[4-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 40736197
(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate
CID 2900218
phenacyl 4-[[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 5016828
[(2S)-1-anilino-1-oxopropan-2-yl] 4-(4-bromophenyl)-4-oxobutanoate
CID 7132411
(1-oxo-1-phenylpropan-2-yl) 2-bromoacetate
CID 121218288
(1-oxo-1-phenylpropan-2-yl) 4-[[4-oxo-4-(2-oxo-2-thiophen-2-ylethoxy)butanoyl]amino]benzoate
CID 5104878
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate
CID 4083668
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3675096
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate (CID 2175918) is [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate is C[C@@H](OC(=O)CCC(=O)Nc1ccc(Br)cc1)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate?
The InChIKey is UFYYFKYWGDBIPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18BrNO4/c1-13(19(24)14-5-3-2-4-6-14)25-18(23)12-11-17(22)21-16-9-7-15(20)8-10-16/h2-10,13H,11-12H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate?
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate has a molecular weight of 404.26 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate is sourced from PubChem (CID 2175918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).