2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide

C14H17Cl2NO3 — CID 89195114

IUPAC2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
SMILESO=CCCCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c15-11-5-6-13(12(16)9-11)20-10-14(19)17-7-3-1-2-4-8-18/h5-6,8-9H,1-4,7,10H2,(H,17,19)
InChIKeyIWTUQEPWHUFHBR-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.25
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide

2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide (PubChem CID 89195114) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
PubChem CID89195114
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
SMILESO=CCCCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c15-11-5-6-13(12(16)9-11)20-10-14(19)17-7-3-1-2-4-8-18/h5-6,8-9H,1-4,7,10H2,(H,17,19)
InChIKeyIWTUQEPWHUFHBR-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 68958426
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
CID 147530715
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide (CID 89195114) is 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide is O=CCCCCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide?
The InChIKey is IWTUQEPWHUFHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c15-11-5-6-13(12(16)9-11)20-10-14(19)17-7-3-1-2-4-8-18/h5-6,8-9H,1-4,7,10H2,(H,17,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide has a molecular weight of 318.20 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide is sourced from PubChem (CID 89195114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).