2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide

C13H16Cl2N2O3 — CID 9286556

IUPAC2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-2-6-16-11(18)7-17-12(19)8-20-10-5-3-4-9(14)13(10)15/h3-5H,2,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyJLOWZGUYKUVGCG-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.01
Rot. Bonds7

About 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide

2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide (PubChem CID 9286556) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
PubChem CID9286556
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-2-6-16-11(18)7-17-12(19)8-20-10-5-3-4-9(14)13(10)15/h3-5H,2,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyJLOWZGUYKUVGCG-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 114320622
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
CID 8604337
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
CID 114321885
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
CID 114320191
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide (CID 9286556) is 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide?
The InChIKey is JLOWZGUYKUVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-2-6-16-11(18)7-17-12(19)8-20-10-5-3-4-9(14)13(10)15/h3-5H,2,6-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide?
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide has a molecular weight of 319.19 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 9286556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).