N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide

C15H11Cl2NO3 — CID 831629

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)
InChIKeyNMKJFZCBCIUYHI-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.65
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide (PubChem CID 831629) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
PubChem CID831629
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)
InChIKeyNMKJFZCBCIUYHI-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
N-cyclohexyl-1,3-benzodioxole-5-carboxamide
CID 669586
N-(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 689241
2-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 674895
N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 2306549
N-2-Propen-1-yl-1,3-benzodioxole-5-carboxamide
CID 47452
4-Chloro-N-(3,4-dimethoxyphenethyl)benzamide
CID 300901
N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide
CID 673798
N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide
CID 683219
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxybenzamide
CID 789880
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxybenzamide
CID 790127
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-methoxybenzamide
CID 874389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide (CID 831629) is N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide is O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide?
The InChIKey is NMKJFZCBCIUYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide has a molecular weight of 324.16 g/mol, XLogP of 3.65, 3 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-ylmethyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 831629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).