N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide

C15H11Cl2NO3 — CID 776037

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO3/c16-11-3-2-10(6-12(11)17)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChIKeyRPWSVNLKEWXILJ-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.65
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide (PubChem CID 776037) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
PubChem CID776037
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO3/c16-11-3-2-10(6-12(11)17)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChIKeyRPWSVNLKEWXILJ-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-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide
CID 9314668
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
CID 1297066
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110851769
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dichlorophenyl)methyl]thiourea
CID 3851472
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2704676
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide (CID 776037) is N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide?
The InChIKey is RPWSVNLKEWXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-11-3-2-10(6-12(11)17)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3,4-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)-3,4-dichlorobenzamide is sourced from PubChem (CID 776037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).