[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate

C19H19Cl2NO3 — CID 7957969

IUPAC[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate
SMILESC[C@H](NC(=O)COC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO3/c1-13(15-8-9-16(20)17(21)11-15)22-18(23)12-25-19(24)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeySHNPZTNTFPEMJZ-ZDUSSCGKSA-N
MW380.27 g/mol
LogP4.35
Rot. Bonds7

About [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate

[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 7957969) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID7957969
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate
SMILESC[C@H](NC(=O)COC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO3/c1-13(15-8-9-16(20)17(21)11-15)22-18(23)12-25-19(24)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeySHNPZTNTFPEMJZ-ZDUSSCGKSA-N
XLogP4.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate with MolForge

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Related Compounds

[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46685666
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 55427580
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 55509058
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791260
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725126
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549671
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 31395963
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9406836
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 8611803
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602255
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoate
CID 46660894

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate (CID 7957969) is [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate is C[C@H](NC(=O)COC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is SHNPZTNTFPEMJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-13(15-8-9-16(20)17(21)11-15)22-18(23)12-25-19(24)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate?
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 380.27 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 7957969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).