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

C16H13Cl2NO4 — CID 1297066

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccc3c(c2)OCO3)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-21-15-11(17)5-10(6-12(15)18)16(20)19-7-9-2-3-13-14(4-9)23-8-22-13/h2-6H,7-8H2,1H3,(H,19,20)
InChIKeySRRHIWWIYZIUSP-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.66
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 1297066) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
PubChem CID1297066
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccc3c(c2)OCO3)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-21-15-11(17)5-10(6-12(15)18)16(20)19-7-9-2-3-13-14(4-9)23-8-22-13/h2-6H,7-8H2,1H3,(H,19,20)
InChIKeySRRHIWWIYZIUSP-UHFFFAOYSA-N
XLogP3.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-5-ethoxy-4-methoxybenzamide
CID 4786325
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110851769
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]thiourea
CID 24637405
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-4-hydroxy-5-methoxybenzamide
CID 17472841
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 9404639
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide (CID 1297066) is N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCc2ccc3c(c2)OCO3)cc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is SRRHIWWIYZIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-21-15-11(17)5-10(6-12(15)18)16(20)19-7-9-2-3-13-14(4-9)23-8-22-13/h2-6H,7-8H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 354.19 g/mol, XLogP of 3.66, 4 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)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 1297066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).