2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide

C18H19Cl2NO2 — CID 2218265

IUPAC2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c19-15-9-10-17(16(20)12-15)23-13-18(22)21-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11,13H2,(H,21,22)
InChIKeyMPMMFFTWGMJFSQ-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.51
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide (PubChem CID 2218265) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
PubChem CID2218265
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c19-15-9-10-17(16(20)12-15)23-13-18(22)21-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11,13H2,(H,21,22)
InChIKeyMPMMFFTWGMJFSQ-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.51
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-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 5023013
N-[2-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide (CID 2218265) is 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCCCc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide?
The InChIKey is MPMMFFTWGMJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c19-15-9-10-17(16(20)12-15)23-13-18(22)21-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11,13H2,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide has a molecular weight of 352.26 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 2218265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).