2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide

C13H16Cl2N2O3 — CID 24683076

IUPAC2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-3-16-13(19)8(2)17-12(18)7-20-11-6-9(14)4-5-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJJTQOBRWRKYBJD-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.01
Rot. Bonds6

About 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide (PubChem CID 24683076) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
PubChem CID24683076
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-3-16-13(19)8(2)17-12(18)7-20-11-6-9(14)4-5-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJJTQOBRWRKYBJD-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid
CID 43469750
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847713
N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 119585484
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286413
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664509
2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 52507381

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide (CID 24683076) is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide?
The InChIKey is JJTQOBRWRKYBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-3-16-13(19)8(2)17-12(18)7-20-11-6-9(14)4-5-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide?
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide has a molecular weight of 319.19 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 24683076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).