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

C19H21Cl2NO2 — CID 2930772

IUPAC2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H21Cl2NO2/c1-14(24-18-11-10-16(20)13-17(18)21)19(23)22-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13-14H,5-6,9,12H2,1H3,(H,22,23)
InChIKeyPLCFJKFGAYSKKF-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.90
Rot. Bonds8

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

2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide (PubChem CID 2930772) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide
PubChem CID2930772
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H21Cl2NO2/c1-14(24-18-11-10-16(20)13-17(18)21)19(23)22-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13-14H,5-6,9,12H2,1H3,(H,22,23)
InChIKeyPLCFJKFGAYSKKF-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.90
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-(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
N-[3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-(4-chlorophenyloxy)-2-methylpropanamide
CID 9868656

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide (CID 2930772) is 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCCc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide?
The InChIKey is PLCFJKFGAYSKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-14(24-18-11-10-16(20)13-17(18)21)19(23)22-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13-14H,5-6,9,12H2,1H3,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)propanamide has a molecular weight of 366.29 g/mol, XLogP of 4.90, 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)propanamide is sourced from PubChem (CID 2930772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).