ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate

C12H13Cl2NO3 — CID 54960145

IUPACethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-3-18-12(17)7(2)15-11(16)10-8(13)5-4-6-9(10)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyWCTBSPGZMHFHSU-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.67
Rot. Bonds4

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

ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate (PubChem CID 54960145) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
PubChem CID54960145
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Nameethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-3-18-12(17)7(2)15-11(16)10-8(13)5-4-6-9(10)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyWCTBSPGZMHFHSU-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
CID 19785916
ethyl (2S,3R)-3-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoate
CID 124854483
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide
CID 61120309
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate (CID 54960145) is ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate?
The InChIKey is WCTBSPGZMHFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-3-18-12(17)7(2)15-11(16)10-8(13)5-4-6-9(10)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate?
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate has a molecular weight of 290.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate is sourced from PubChem (CID 54960145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).