N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide

C11H12FN5O3 — CID 90192893

IUPACN-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
SMILESCC(=O)NOCc1c(F)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C11H12FN5O3/c1-7(18)13-20-6-8-9(12)4-3-5-10(8)17-11(19)16(2)14-15-17/h3-5H,6H2,1-2H3,(H,13,18)
InChIKeyZYWSLELJZMERRC-UHFFFAOYSA-N
MW281.25 g/mol
LogP-0.33
Rot. Bonds4

About N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide

N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide (PubChem CID 90192893) has the molecular formula C11H12FN5O3 and a molecular weight of 281.25 g/mol. Its IUPAC name is N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
PubChem CID90192893
Molecular FormulaC11H12FN5O3
Molecular Weight281.25 g/mol
Exact Mass281.09
IUPAC NameN-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
SMILESCC(=O)NOCc1c(F)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C11H12FN5O3/c1-7(18)13-20-6-8-9(12)4-3-5-10(8)17-11(19)16(2)14-15-17/h3-5H,6H2,1-2H3,(H,13,18)
InChIKeyZYWSLELJZMERRC-UHFFFAOYSA-N
XLogP-0.33
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide?
The IUPAC name of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide (CID 90192893) is N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide.
What is the SMILES notation for N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide?
The canonical SMILES for N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide is CC(=O)NOCc1c(F)cccc1-n1nnn(C)c1=O.
What is the InChIKey of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide?
The InChIKey is ZYWSLELJZMERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3/c1-7(18)13-20-6-8-9(12)4-3-5-10(8)17-11(19)16(2)14-15-17/h3-5H,6H2,1-2H3,(H,13,18).
What are the key properties of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide?
N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide has a molecular weight of 281.25 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide is sourced from PubChem (CID 90192893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).