N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

C19H18N6O — CID 9355936

IUPACN-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2nnn(CC(=O)Nc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13(2)15-5-7-16(8-6-15)19-22-24-25(23-19)12-18(26)21-17-9-3-14(11-20)4-10-17/h3-10,13H,12H2,1-2H3,(H,21,26)
InChIKeyRSHXGZCSSFMXDR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.97
Rot. Bonds5

About N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 9355936) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID9355936
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2nnn(CC(=O)Nc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13(2)15-5-7-16(8-6-15)19-22-24-25(23-19)12-18(26)21-17-9-3-14(11-20)4-10-17/h3-10,13H,12H2,1-2H3,(H,21,26)
InChIKeyRSHXGZCSSFMXDR-UHFFFAOYSA-N
XLogP2.97
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489486
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589056
N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide
CID 7489574
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 5299248
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489729
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 86963534

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (CID 9355936) is N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is CC(C)c1ccc(-c2nnn(CC(=O)Nc3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is RSHXGZCSSFMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13(2)15-5-7-16(8-6-15)19-22-24-25(23-19)12-18(26)21-17-9-3-14(11-20)4-10-17/h3-10,13H,12H2,1-2H3,(H,21,26).
What are the key properties of N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9355936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).