N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide

C18H17N5O2 — CID 9421405

IUPACN-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2nnnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17N5O2/c1-12-3-5-15(6-4-12)18-20-21-22-23(18)11-17(25)14-7-9-16(10-8-14)19-13(2)24/h3-10H,11H2,1-2H3,(H,19,24)
InChIKeyPXFNTEJGHKHHST-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.49
Rot. Bonds5

About N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide

N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide (PubChem CID 9421405) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
PubChem CID9421405
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2nnnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17N5O2/c1-12-3-5-15(6-4-12)18-20-21-22-23(18)11-17(25)14-7-9-16(10-8-14)19-13(2)24/h3-10H,11H2,1-2H3,(H,19,24)
InChIKeyPXFNTEJGHKHHST-UHFFFAOYSA-N
XLogP2.49
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421663
N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide
CID 84759174
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-nitrophenyl)ethanone
CID 9421917
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 9421475
N-(4-methylphenyl)acetamide
CID 7684
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9421161
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9421568
dimethyl 1-[2-(4-methylphenyl)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 50927871
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide (CID 9421405) is N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)Cn2nnnc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
The InChIKey is PXFNTEJGHKHHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-3-5-15(6-4-12)18-20-21-22-23(18)11-17(25)14-7-9-16(10-8-14)19-13(2)24/h3-10H,11H2,1-2H3,(H,19,24).
What are the key properties of N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide is sourced from PubChem (CID 9421405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).