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

C18H19N5O — CID 7216958

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19N5O/c1-12-4-7-15(8-5-12)18(24)19-11-17-20-21-22-23(17)16-9-6-13(2)14(3)10-16/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyZFHGFXQVWMBQIO-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.52
Rot. Bonds4

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

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide (PubChem CID 7216958) 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]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide
PubChem CID7216958
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19N5O/c1-12-4-7-15(8-5-12)18(24)19-11-17-20-21-22-23(17)16-9-6-13(2)14(3)10-16/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyZFHGFXQVWMBQIO-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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Related Compounds

1-[3-({2-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]vinyl}amino)phenyl]ethanone
CID 7285271
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2,2-dimethylpropanamide
CID 16030168
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-3,5-bis(trifluoromethyl)benzamide
CID 16030215
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 16030217
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide
CID 16030221
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16799168
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide
CID 68011365
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methyl}-2-methylpropanamide
CID 7216944
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}benzamide
CID 7216953
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2-methylbenzamide
CID 7216954
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-4-fluorobenzamide
CID 16030197
1-(3,4-Dimethylphenyl)-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-5-oxopyrrolidine-3-carboxamide
CID 16030225

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide (CID 7216958) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide?
The InChIKey is ZFHGFXQVWMBQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-4-7-15(8-5-12)18(24)19-11-17-20-21-22-23(17)16-9-6-13(2)14(3)10-16/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methylbenzamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-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]-4-methylbenzamide is sourced from PubChem (CID 7216958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).