[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate

C19H19Cl2NO3 — CID 7810987

IUPAC[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H19Cl2NO3/c1-3-17(13-7-5-4-6-8-13)19(24)25-12(2)18(23)22-16-10-14(20)9-15(21)11-16/h4-12,17H,3H2,1-2H3,(H,22,23)/t12-,17+/m1/s1
InChIKeyBUPLVHVZVNJGGV-PXAZEXFGSA-N
MW380.27 g/mol
LogP5.06
Rot. Bonds6

About [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate

[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate (PubChem CID 7810987) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate.

Molecular Properties

Compound Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
PubChem CID7810987
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H19Cl2NO3/c1-3-17(13-7-5-4-6-8-13)19(24)25-12(2)18(23)22-16-10-14(20)9-15(21)11-16/h4-12,17H,3H2,1-2H3,(H,22,23)/t12-,17+/m1/s1
InChIKeyBUPLVHVZVNJGGV-PXAZEXFGSA-N
XLogP5.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7810977
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46629703
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 8758830
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate
CID 7843476
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821780
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methyl-2-phenylpentanoate
CID 55422375
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate?
The IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate (CID 7810987) is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate.
What is the SMILES notation for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate?
The canonical SMILES for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate is CC[C@H](C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate?
The InChIKey is BUPLVHVZVNJGGV-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-3-17(13-7-5-4-6-8-13)19(24)25-12(2)18(23)22-16-10-14(20)9-15(21)11-16/h4-12,17H,3H2,1-2H3,(H,22,23)/t12-,17+/m1/s1.
What are the key properties of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate?
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate has a molecular weight of 380.27 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate is sourced from PubChem (CID 7810987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).