N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

C17H17N5O — CID 16561616

IUPACN-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C17H17N5O/c1-12-8-9-15(10-13(12)2)18-16(23)11-22-20-17(19-21-22)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyXKMGPTYSFUANIW-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.60
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 16561616) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID16561616
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C17H17N5O/c1-12-8-9-15(10-13(12)2)18-16(23)11-22-20-17(19-21-22)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyXKMGPTYSFUANIW-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846610
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 16561616) is N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is XKMGPTYSFUANIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-8-9-15(10-13(12)2)18-16(23)11-22-20-17(19-21-22)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 16561616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).