N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide

C16H13Cl2NO3 — CID 51190259

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO3/c1-19(16(20)12-4-3-11(17)7-13(12)18)8-10-2-5-14-15(6-10)22-9-21-14/h2-7H,8-9H2,1H3
InChIKeyPZOSPEFWNBUOLS-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.99
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide (PubChem CID 51190259) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
PubChem CID51190259
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO3/c1-19(16(20)12-4-3-11(17)7-13(12)18)8-10-2-5-14-15(6-10)22-9-21-14/h2-7H,8-9H2,1H3
InChIKeyPZOSPEFWNBUOLS-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 27863700
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
CID 51257741
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 35359994
3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 31988959
N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dichlorophenoxy)-N-methylbutanamide
CID 55372070
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 42776726
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24548625
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 30510147

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide (CID 51190259) is N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide?
The InChIKey is PZOSPEFWNBUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-19(16(20)12-4-3-11(17)7-13(12)18)8-10-2-5-14-15(6-10)22-9-21-14/h2-7H,8-9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide has a molecular weight of 338.19 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide is sourced from PubChem (CID 51190259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).