N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C17H16FN5O — CID 893453

IUPACN-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C17H16FN5O/c1-11-7-12(2)9-13(8-11)19-16(24)10-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyLOVWPHFOJNLWJO-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.73
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 893453) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID893453
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C17H16FN5O/c1-11-7-12(2)9-13(8-11)19-16(24)10-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyLOVWPHFOJNLWJO-UHFFFAOYSA-N
XLogP2.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 893453) is N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is LOVWPHFOJNLWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-11-7-12(2)9-13(8-11)19-16(24)10-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 893453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).