N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide

C15H11ClN4O4 — CID 7696724

IUPACN-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
SMILESO=C(COn1nnc2ccc(Cl)cc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11ClN4O4/c16-9-1-3-11-12(5-9)20(19-18-11)24-7-15(21)17-10-2-4-13-14(6-10)23-8-22-13/h1-6H,7-8H2,(H,17,21)
InChIKeyNYJQIJOKVVNWFN-UHFFFAOYSA-N
MW346.73 g/mol
LogP1.88
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide

N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide (PubChem CID 7696724) has the molecular formula C15H11ClN4O4 and a molecular weight of 346.73 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
PubChem CID7696724
Molecular FormulaC15H11ClN4O4
Molecular Weight346.73 g/mol
Exact Mass346.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
SMILESO=C(COn1nnc2ccc(Cl)cc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11ClN4O4/c16-9-1-3-11-12(5-9)20(19-18-11)24-7-15(21)17-10-2-4-13-14(6-10)23-8-22-13/h1-6H,7-8H2,(H,17,21)
InChIKeyNYJQIJOKVVNWFN-UHFFFAOYSA-N
XLogP1.88
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
CID 4132630
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
6-chloro-1-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]benzotriazole
CID 27070472
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803943
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-2-methoxybenzoate
CID 50929778
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463
N-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]acetamide
CID 110615456

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide (CID 7696724) is N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide is O=C(COn1nnc2ccc(Cl)cc21)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The InChIKey is NYJQIJOKVVNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O4/c16-9-1-3-11-12(5-9)20(19-18-11)24-7-15(21)17-10-2-4-13-14(6-10)23-8-22-13/h1-6H,7-8H2,(H,17,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide has a molecular weight of 346.73 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 7696724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).