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

C17H16FN5O2 — CID 177372543

IUPACN-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN5O2/c1-22(14-8-6-13(18)7-9-14)16(24)11-23-20-17(19-21-23)12-4-3-5-15(10-12)25-2/h3-10H,11H2,1-2H3
InChIKeyFIQOGUVWYKKKCL-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.15
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (PubChem CID 177372543) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
PubChem CID177372543
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN5O2/c1-22(14-8-6-13(18)7-9-14)16(24)11-23-20-17(19-21-23)12-4-3-5-15(10-12)25-2/h3-10H,11H2,1-2H3
InChIKeyFIQOGUVWYKKKCL-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 N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (CID 177372543) is N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is COc1cccc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The InChIKey is FIQOGUVWYKKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22(14-8-6-13(18)7-9-14)16(24)11-23-20-17(19-21-23)12-4-3-5-15(10-12)25-2/h3-10H,11H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-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 N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 177372543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).