2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide

C17H16FN5O2 — CID 177372544

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-22(14-6-8-15(25-2)9-7-14)16(24)11-23-20-17(19-21-23)12-4-3-5-13(18)10-12/h3-10H,11H2,1-2H3
InChIKeyDRDKHVWCJHJFOC-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.15
Rot. Bonds5

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 177372544) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID177372544
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-22(14-6-8-15(25-2)9-7-14)16(24)11-23-20-17(19-21-23)12-4-3-5-13(18)10-12/h3-10H,11H2,1-2H3
InChIKeyDRDKHVWCJHJFOC-UHFFFAOYSA-N
XLogP2.15
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide (CID 177372544) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is DRDKHVWCJHJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22(14-6-8-15(25-2)9-7-14)16(24)11-23-20-17(19-21-23)12-4-3-5-13(18)10-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 341.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 177372544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).