2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide

C17H17Cl2NO2 — CID 8604337

IUPAC2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)NCCCc1ccccc1
InChIInChI=1S/C17H17Cl2NO2/c18-14-9-4-10-15(17(14)19)22-12-16(21)20-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,20,21)
InChIKeyQNRCZKQZMBGOOG-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.12
Rot. Bonds7

About 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide

2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide (PubChem CID 8604337) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
PubChem CID8604337
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)NCCCc1ccccc1
InChIInChI=1S/C17H17Cl2NO2/c18-14-9-4-10-15(17(14)19)22-12-16(21)20-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,20,21)
InChIKeyQNRCZKQZMBGOOG-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.12
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

2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732
N-(2-benzylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 7787717
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide (CID 8604337) is 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide is O=C(COc1cccc(Cl)c1Cl)NCCCc1ccccc1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide?
The InChIKey is QNRCZKQZMBGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c18-14-9-4-10-15(17(14)19)22-12-16(21)20-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,20,21).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide?
2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide has a molecular weight of 338.23 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 8604337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).