ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate

C13H15Cl2NO3 — CID 19785916

IUPACethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-3-19-13(18)8(2)16-12(17)7-9-10(14)5-4-6-11(9)15/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyQVMLQIADXKOEHN-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.60
Rot. Bonds5

About ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate

ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate (PubChem CID 19785916) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
PubChem CID19785916
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Nameethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-3-19-13(18)8(2)16-12(17)7-9-10(14)5-4-6-11(9)15/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyQVMLQIADXKOEHN-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate
CID 17435918
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
ethyl 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanoate
CID 112606688
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
CID 62538862
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
2-(2,6-dichlorophenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94799087
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate (CID 19785916) is ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate?
The InChIKey is QVMLQIADXKOEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-3-19-13(18)8(2)16-12(17)7-9-10(14)5-4-6-11(9)15/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate?
ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate has a molecular weight of 304.17 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate is sourced from PubChem (CID 19785916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).