N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide

C17H15Cl2NO4 — CID 2862146

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-14-5-3-12(18)7-13(14)19)17(21)20-8-11-2-4-15-16(6-11)23-9-22-15/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyHTLITQCTVJDOQP-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.81
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 2862146) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID2862146
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-14-5-3-12(18)7-13(14)19)17(21)20-8-11-2-4-15-16(6-11)23-9-22-15/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyHTLITQCTVJDOQP-UHFFFAOYSA-N
XLogP3.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide (CID 2862146) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is HTLITQCTVJDOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-10(24-14-5-3-12(18)7-13(14)19)17(21)20-8-11-2-4-15-16(6-11)23-9-22-15/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 368.22 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 2862146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).