N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide

C17H15N5O3 — CID 17458460

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H15N5O3/c1-22(9-11-2-7-14-15(8-11)25-10-24-14)17(23)13-5-3-12(4-6-13)16-18-20-21-19-16/h2-8H,9-10H2,1H3,(H,18,19,20,21)
InChIKeyFGTZCVGDWYICIU-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.87
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 17458460) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
PubChem CID17458460
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H15N5O3/c1-22(9-11-2-7-14-15(8-11)25-10-24-14)17(23)13-5-3-12(4-6-13)16-18-20-21-19-16/h2-8H,9-10H2,1H3,(H,18,19,20,21)
InChIKeyFGTZCVGDWYICIU-UHFFFAOYSA-N
XLogP1.87
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
CID 56545342
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081233

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide (CID 17458460) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is FGTZCVGDWYICIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-22(9-11-2-7-14-15(8-11)25-10-24-14)17(23)13-5-3-12(4-6-13)16-18-20-21-19-16/h2-8H,9-10H2,1H3,(H,18,19,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 17458460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).