N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide

C14H9Cl2NO3 — CID 673518

IUPACN-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO3/c15-8-1-3-10(11(16)5-8)14(18)17-9-2-4-12-13(6-9)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyHUXDABLEJAOGSF-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.97
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide

N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide (PubChem CID 673518) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide
PubChem CID673518
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO3/c15-8-1-3-10(11(16)5-8)14(18)17-9-2-4-12-13(6-9)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyHUXDABLEJAOGSF-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide (CID 673518) is N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide?
The InChIKey is HUXDABLEJAOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-8-1-3-10(11(16)5-8)14(18)17-9-2-4-12-13(6-9)20-7-19-12/h1-6H,7H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide?
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide has a molecular weight of 310.14 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzamide is sourced from PubChem (CID 673518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).