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

C20H23Cl2NO2 — CID 2841932

IUPAC4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C20H23Cl2NO2/c21-17-11-12-19(18(22)15-17)25-14-6-10-20(24)23-13-5-4-9-16-7-2-1-3-8-16/h1-3,7-8,11-12,15H,4-6,9-10,13-14H2,(H,23,24)
InChIKeyUGBVSADWNNJJPD-UHFFFAOYSA-N
MW380.31 g/mol
LogP5.29
Rot. Bonds10

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

4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide (PubChem CID 2841932) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
PubChem CID2841932
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.31 g/mol
Exact Mass379.11
IUPAC Name4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C20H23Cl2NO2/c21-17-11-12-19(18(22)15-17)25-14-6-10-20(24)23-13-5-4-9-16-7-2-1-3-8-16/h1-3,7-8,11-12,15H,4-6,9-10,13-14H2,(H,23,24)
InChIKeyUGBVSADWNNJJPD-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.31
LogP ≤ 55.29
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

4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-phenylethyl 4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoate
CID 4946981
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 68958426

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide (CID 2841932) is 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCCCCc1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide?
The InChIKey is UGBVSADWNNJJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c21-17-11-12-19(18(22)15-17)25-14-6-10-20(24)23-13-5-4-9-16-7-2-1-3-8-16/h1-3,7-8,11-12,15H,4-6,9-10,13-14H2,(H,23,24).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide has a molecular weight of 380.31 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide is sourced from PubChem (CID 2841932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).