[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate

C19H19Cl2NO4 — CID 8524267

IUPAC[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO4/c1-12(19(24)22-16-11-14(20)8-9-15(16)21)26-18(23)10-7-13-5-3-4-6-17(13)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyHUCDXRICWNSRQC-GFCCVEGCSA-N
MW396.27 g/mol
LogP4.51
Rot. Bonds7

About [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate

[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate (PubChem CID 8524267) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
PubChem CID8524267
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO4/c1-12(19(24)22-16-11-14(20)8-9-15(16)21)26-18(23)10-7-13-5-3-4-6-17(13)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyHUCDXRICWNSRQC-GFCCVEGCSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate with MolForge

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Related Compounds

[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848170
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553032
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956074
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate
CID 8821513
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 16505344
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950785
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805410
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8611663
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 16543759
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 42971001
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956013
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 7871072

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate (CID 8524267) is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is HUCDXRICWNSRQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-12(19(24)22-16-11-14(20)8-9-15(16)21)26-18(23)10-7-13-5-3-4-6-17(13)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 396.27 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 8524267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).