N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide

C16H13N5O3 — CID 862147

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13N5O3/c22-16(11-2-1-3-13(8-11)21-10-17-19-20-21)18-12-4-5-14-15(9-12)24-7-6-23-14/h1-5,8-10H,6-7H2,(H,18,22)
InChIKeyONWKWQFUEPETDQ-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.69
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 862147) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID862147
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13N5O3/c22-16(11-2-1-3-13(8-11)21-10-17-19-20-21)18-12-4-5-14-15(9-12)24-7-6-23-14/h1-5,8-10H,6-7H2,(H,18,22)
InChIKeyONWKWQFUEPETDQ-UHFFFAOYSA-N
XLogP1.69
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(tetrazol-1-yl)benzamide
CID 51206366
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 4804176
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
N'-[3-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47784702
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide (CID 862147) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is ONWKWQFUEPETDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-16(11-2-1-3-13(8-11)21-10-17-19-20-21)18-12-4-5-14-15(9-12)24-7-6-23-14/h1-5,8-10H,6-7H2,(H,18,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 862147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).