2-(3-chlorophenoxy)-N-hexylacetamide

C14H20ClNO2 — CID 19168602

IUPAC2-(3-chlorophenoxy)-N-hexylacetamide
SMILESCCCCCCNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-2-3-4-5-9-16-14(17)11-18-13-8-6-7-12(15)10-13/h6-8,10H,2-5,9,11H2,1H3,(H,16,17)
InChIKeyMUFXGYQCELEUGJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.42
Rot. Bonds8

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

2-(3-chlorophenoxy)-N-hexylacetamide (PubChem CID 19168602) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-hexylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-hexylacetamide
PubChem CID19168602
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chlorophenoxy)-N-hexylacetamide
SMILESCCCCCCNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-2-3-4-5-9-16-14(17)11-18-13-8-6-7-12(15)10-13/h6-8,10H,2-5,9,11H2,1H3,(H,16,17)
InChIKeyMUFXGYQCELEUGJ-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-hexylacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-hexylacetamide (CID 19168602) is 2-(3-chlorophenoxy)-N-hexylacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-hexylacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-hexylacetamide is CCCCCCNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-hexylacetamide?
The InChIKey is MUFXGYQCELEUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-3-4-5-9-16-14(17)11-18-13-8-6-7-12(15)10-13/h6-8,10H,2-5,9,11H2,1H3,(H,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-hexylacetamide?
2-(3-chlorophenoxy)-N-hexylacetamide has a molecular weight of 269.77 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-hexylacetamide is sourced from PubChem (CID 19168602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).