4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

C18H17Cl2NO4 — CID 2789890

IUPAC4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17Cl2NO4/c19-12-3-5-15(14(20)10-12)23-7-1-2-18(22)21-13-4-6-16-17(11-13)25-9-8-24-16/h3-6,10-11H,1-2,7-9H2,(H,21,22)
InChIKeySNFZHSXLZLFLAU-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.56
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide (PubChem CID 2789890) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
PubChem CID2789890
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17Cl2NO4/c19-12-3-5-15(14(20)10-12)23-7-1-2-18(22)21-13-4-6-16-17(11-13)25-9-8-24-16/h3-6,10-11H,1-2,7-9H2,(H,21,22)
InChIKeySNFZHSXLZLFLAU-UHFFFAOYSA-N
XLogP4.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-phenylbutanamide
CID 2169139
4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide
CID 2227430
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071
2-(2-chloro-5-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2971003
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 4858716
N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 46799438
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide
CID 852879
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenoxybutanamide
CID 1570003
2-(2-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1571328
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide
CID 2709620
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide
CID 2954602
(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxy-phenyl]hexa-2,4-dienamide
CID 46930324

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide (CID 2789890) is 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The InChIKey is SNFZHSXLZLFLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c19-12-3-5-15(14(20)10-12)23-7-1-2-18(22)21-13-4-6-16-17(11-13)25-9-8-24-16/h3-6,10-11H,1-2,7-9H2,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide has a molecular weight of 382.24 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide is sourced from PubChem (CID 2789890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).