2-(3-chlorophenoxy)-N-propylacetamide

C11H14ClNO2 — CID 47001598

IUPAC2-(3-chlorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,13,14)
InChIKeyMVBVIGRDESSGEF-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.24
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-propylacetamide

2-(3-chlorophenoxy)-N-propylacetamide (PubChem CID 47001598) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-propylacetamide
PubChem CID47001598
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(3-chlorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,13,14)
InChIKeyMVBVIGRDESSGEF-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-propylacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-propylacetamide (CID 47001598) is 2-(3-chlorophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-propylacetamide is CCCNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-propylacetamide?
The InChIKey is MVBVIGRDESSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,13,14).
What are the key properties of 2-(3-chlorophenoxy)-N-propylacetamide?
2-(3-chlorophenoxy)-N-propylacetamide has a molecular weight of 227.69 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-propylacetamide is sourced from PubChem (CID 47001598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).