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

C16H14FN5O2 — CID 771137

IUPACN-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H14FN5O2/c1-24-14-7-5-11(6-8-14)16-19-21-22(20-16)10-15(23)18-13-4-2-3-12(17)9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyYAPQXTVXDAYNMD-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.13
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 771137) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID771137
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H14FN5O2/c1-24-14-7-5-11(6-8-14)16-19-21-22(20-16)10-15(23)18-13-4-2-3-12(17)9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyYAPQXTVXDAYNMD-UHFFFAOYSA-N
XLogP2.13
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide (CID 771137) is N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide is COc1ccc(-c2nnn(CC(=O)Nc3cccc(F)c3)n2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is YAPQXTVXDAYNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-24-14-7-5-11(6-8-14)16-19-21-22(20-16)10-15(23)18-13-4-2-3-12(17)9-13/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide?
N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 327.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 771137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).