N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

C16H15N5O — CID 856053

IUPACN-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H15N5O/c1-12-6-5-9-14(10-12)17-15(22)11-21-19-16(18-20-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyCYMYXJINJIQQJE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.29
Rot. Bonds4

About N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 856053) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID856053
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H15N5O/c1-12-6-5-9-14(10-12)17-15(22)11-21-19-16(18-20-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyCYMYXJINJIQQJE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7589299

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 856053) is N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is CYMYXJINJIQQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-6-5-9-14(10-12)17-15(22)11-21-19-16(18-20-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 856053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).