N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide

C16H15N5O — CID 2462594

IUPACN-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C16H15N5O/c1-12-6-8-13(9-7-12)10-17-16(22)14-4-2-3-5-15(14)21-11-18-19-20-21/h2-9,11H,10H2,1H3,(H,17,22)
InChIKeyHTQNURGARRPZLU-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.90
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide

N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 2462594) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID2462594
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C16H15N5O/c1-12-6-8-13(9-7-12)10-17-16(22)14-4-2-3-5-15(14)21-11-18-19-20-21/h2-9,11H,10H2,1H3,(H,17,22)
InChIKeyHTQNURGARRPZLU-UHFFFAOYSA-N
XLogP1.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 2462594) is N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide is Cc1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is HTQNURGARRPZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-6-8-13(9-7-12)10-17-16(22)14-4-2-3-5-15(14)21-11-18-19-20-21/h2-9,11H,10H2,1H3,(H,17,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 2462594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).