N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide

C16H12Cl2N2O4 — CID 108508618

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N2O4/c17-10-2-1-3-11(18)14(10)20-16(22)15(21)19-7-9-4-5-12-13(6-9)24-8-23-12/h1-6H,7-8H2,(H,19,21)(H,20,22)
InChIKeyUGCKTQYTZIQZEX-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.98
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide (PubChem CID 108508618) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide
PubChem CID108508618
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N2O4/c17-10-2-1-3-11(18)14(10)20-16(22)15(21)19-7-9-4-5-12-13(6-9)24-8-23-12/h1-6H,7-8H2,(H,19,21)(H,20,22)
InChIKeyUGCKTQYTZIQZEX-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
CID 8896575
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-fluorophenyl)oxamide
CID 3136649
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 44999738
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999501
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985031
N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 7585438
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide
CID 18587361
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108508569
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
CID 18588725

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide (CID 108508618) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide is O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide?
The InChIKey is UGCKTQYTZIQZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c17-10-2-1-3-11(18)14(10)20-16(22)15(21)19-7-9-4-5-12-13(6-9)24-8-23-12/h1-6H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide has a molecular weight of 367.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide is sourced from PubChem (CID 108508618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).