2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide

C20H17FN6O3 — CID 9055796

IUPAC2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)c(F)c1
InChIInChI=1S/C20H17FN6O3/c1-12-6-7-16(15(21)10-12)22-18(28)11-27-24-17(23-25-27)8-9-26-19(29)13-4-2-3-5-14(13)20(26)30/h2-7,10H,8-9,11H2,1H3,(H,22,28)
InChIKeyHAPRMUZSNOIBDC-UHFFFAOYSA-N
MW408.39 g/mol
LogP1.60
Rot. Bonds6

About 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide

2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 9055796) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID9055796
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)c(F)c1
InChIInChI=1S/C20H17FN6O3/c1-12-6-7-16(15(21)10-12)22-18(28)11-27-24-17(23-25-27)8-9-26-19(29)13-4-2-3-5-14(13)20(26)30/h2-7,10H,8-9,11H2,1H3,(H,22,28)
InChIKeyHAPRMUZSNOIBDC-UHFFFAOYSA-N
XLogP1.60
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 9055787
2-[2-(2-phenacyltetrazol-5-yl)ethyl]isoindole-1,3-dione
CID 8520064
2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
CID 8520261
2-[2-[2-[2-(4-chlorophenyl)-2-oxoethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
CID 8520015
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756792
2-[2-[2-[2-(1-adamantyl)-2-oxoethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
CID 8520075
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
2-[2-[2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
CID 8520049
N-butyl-2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-methylacetamide
CID 8650800

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide (CID 9055796) is 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)c(F)c1.
What is the InChIKey of 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is HAPRMUZSNOIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-12-6-7-16(15(21)10-12)22-18(28)11-27-24-17(23-25-27)8-9-26-19(29)13-4-2-3-5-14(13)20(26)30/h2-7,10H,8-9,11H2,1H3,(H,22,28).
What are the key properties of 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 408.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-2-yl]-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9055796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).