N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide

C16H13N5O3 — CID 26911241

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13N5O3/c22-16(12-2-1-3-13(7-12)21-9-18-19-20-21)17-8-11-4-5-14-15(6-11)24-10-23-14/h1-7,9H,8,10H2,(H,17,22)
InChIKeyXPXHZFWPEVIZPJ-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.32
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 26911241) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
PubChem CID26911241
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13N5O3/c22-16(12-2-1-3-13(7-12)21-9-18-19-20-21)17-8-11-4-5-14-15(6-11)24-10-23-14/h1-7,9H,8,10H2,(H,17,22)
InChIKeyXPXHZFWPEVIZPJ-UHFFFAOYSA-N
XLogP1.32
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-3-(tetrazol-1-yl)benzamide
CID 95807011
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051273
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 47005048
N-(1,3-benzodioxol-5-ylmethyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997225
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide (CID 26911241) is N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide is O=C(NCc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is XPXHZFWPEVIZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-16(12-2-1-3-13(7-12)21-9-18-19-20-21)17-8-11-4-5-14-15(6-11)24-10-23-14/h1-7,9H,8,10H2,(H,17,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 1.32, 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-ylmethyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26911241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).