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

C17H15N5O4 — CID 644785

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1-n1cnnn1
InChIInChI=1S/C17H15N5O4/c1-24-15-8-11(2-4-13(15)22-10-18-20-21-22)17(23)19-12-3-5-14-16(9-12)26-7-6-25-14/h2-5,8-10H,6-7H2,1H3,(H,19,23)
InChIKeyJRTQOBOIWPTMCM-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.69
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 644785) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID644785
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1-n1cnnn1
InChIInChI=1S/C17H15N5O4/c1-24-15-8-11(2-4-13(15)22-10-18-20-21-22)17(23)19-12-3-5-14-16(9-12)26-7-6-25-14/h2-5,8-10H,6-7H2,1H3,(H,19,23)
InChIKeyJRTQOBOIWPTMCM-UHFFFAOYSA-N
XLogP1.69
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571257
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
Methyl 4-{2-[3-(1H-1,2,3,4-tetrazol-1-YL)phenoxy]acetamido}benzoate
CID 11405500
4-[[2-[4-(Tetrazol-1-yl)phenoxy]acetyl]amino]benzamide
CID 4844830
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 16259852
N-Benzo[1,3]dioxol-5-yl-3-methoxy-4-tetrazol-1-yl-benzamide
CID 646124
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4,5-dimethoxy-2-tetrazol-1-yl-benzamide
CID 653097
4,5-dimethoxy-N-(4-methylphenyl)-2-(1H-tetrazol-1-yl)benzamide
CID 863010
N-(2-methoxyphenyl)-4-(1H-tetraazol-1-yl)benzamide
CID 777207

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide (CID 644785) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1-n1cnnn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is JRTQOBOIWPTMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-24-15-8-11(2-4-13(15)22-10-18-20-21-22)17(23)19-12-3-5-14-16(9-12)26-7-6-25-14/h2-5,8-10H,6-7H2,1H3,(H,19,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 353.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 644785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).