2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide

C13H17ClN2O3 — CID 9011744

IUPAC2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-2-7-15-12(17)8-16-13(18)9-19-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyWKEOAMRHZMXMEJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.36
Rot. Bonds7

About 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide

2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide (PubChem CID 9011744) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
PubChem CID9011744
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-2-7-15-12(17)8-16-13(18)9-19-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyWKEOAMRHZMXMEJ-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 114320622
2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide
CID 95167827
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
CID 114321885
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide (CID 9011744) is 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide?
The InChIKey is WKEOAMRHZMXMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-7-15-12(17)8-16-13(18)9-19-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide?
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide has a molecular weight of 284.74 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 9011744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).