N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide

C17H17N5O — CID 7216953

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H17N5O/c1-12-8-9-15(10-13(12)2)22-16(19-20-21-22)11-18-17(23)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyLSLJIYXEHSJTTJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.21
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 7216953) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID7216953
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H17N5O/c1-12-8-9-15(10-13(12)2)22-16(19-20-21-22)11-18-17(23)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyLSLJIYXEHSJTTJ-UHFFFAOYSA-N
XLogP2.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide (CID 7216953) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide is Cc1ccc(-n2nnnc2CNC(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is LSLJIYXEHSJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-8-9-15(10-13(12)2)22-16(19-20-21-22)11-18-17(23)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 7216953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).