N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide

C18H19N5O — CID 7216954

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccccc2C)cc1C
InChIInChI=1S/C18H19N5O/c1-12-8-9-15(10-14(12)3)23-17(20-21-22-23)11-19-18(24)16-7-5-4-6-13(16)2/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyCAVMHJTXLKXKSJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.52
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide (PubChem CID 7216954) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide
PubChem CID7216954
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccccc2C)cc1C
InChIInChI=1S/C18H19N5O/c1-12-8-9-15(10-14(12)3)23-17(20-21-22-23)11-19-18(24)16-7-5-4-6-13(16)2/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyCAVMHJTXLKXKSJ-UHFFFAOYSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.52
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]-2-methylbenzamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide (CID 7216954) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide is Cc1ccc(-n2nnnc2CNC(=O)c2ccccc2C)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide?
The InChIKey is CAVMHJTXLKXKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-8-9-15(10-14(12)3)23-17(20-21-22-23)11-19-18(24)16-7-5-4-6-13(16)2/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.52, 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]-2-methylbenzamide is sourced from PubChem (CID 7216954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).