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

C17H15Cl2NO4 — CID 601422

IUPAC2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-14-4-2-11(18)8-13(14)19)17(21)20-12-3-5-15-16(9-12)23-7-6-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyCBCDPIKERPYHSS-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.17
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 601422) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID601422
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-14-4-2-11(18)8-13(14)19)17(21)20-12-3-5-15-16(9-12)23-7-6-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyCBCDPIKERPYHSS-UHFFFAOYSA-N
XLogP4.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide
CID 836014
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenoxy)acetamide
CID 870495
(4-{[2-(2,4-Dichlorophenoxy)propanoyl]amino}phenoxy)acetic acid
CID 2950746
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)acetamide
CID 2984348
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenoxy)acetamide
CID 2986739
4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 2789890
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 645791
2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 732522
[2-(4-Methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2357919
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 601422) is 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is CBCDPIKERPYHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-10(24-14-4-2-11(18)8-13(14)19)17(21)20-12-3-5-15-16(9-12)23-7-6-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 368.22 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 601422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).