4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide

C16H15N5O — CID 26835639

IUPAC4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C16H15N5O/c1-11-3-5-13(6-4-11)16(22)18-14-7-8-15(12(2)9-14)21-10-17-19-20-21/h3-10H,1-2H3,(H,18,22)
InChIKeyGPDQTIWUTGJGCV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds3

About 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide

4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 26835639) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID26835639
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C16H15N5O/c1-11-3-5-13(6-4-11)16(22)18-14-7-8-15(12(2)9-14)21-10-17-19-20-21/h3-10H,1-2H3,(H,18,22)
InChIKeyGPDQTIWUTGJGCV-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide (CID 26835639) is 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is GPDQTIWUTGJGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-3-5-13(6-4-11)16(22)18-14-7-8-15(12(2)9-14)21-10-17-19-20-21/h3-10H,1-2H3,(H,18,22).
What are the key properties of 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 26835639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).