N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide

C11H12FN5O3 — CID 136997030

IUPACN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C11H12FN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19)
InChIKeyWFXMJNMMRBNMDE-UHFFFAOYSA-N
MW281.25 g/mol
LogP0.05
Rot. Bonds5

About N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide

N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide (PubChem CID 136997030) has the molecular formula C11H12FN5O3 and a molecular weight of 281.25 g/mol. Its IUPAC name is N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
PubChem CID136997030
Molecular FormulaC11H12FN5O3
Molecular Weight281.25 g/mol
Exact Mass281.09
IUPAC NameN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C11H12FN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19)
InChIKeyWFXMJNMMRBNMDE-UHFFFAOYSA-N
XLogP0.05
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The IUPAC name of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide (CID 136997030) is N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide.
What is the SMILES notation for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The canonical SMILES for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide is CCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O.
What is the InChIKey of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The InChIKey is WFXMJNMMRBNMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19).
What are the key properties of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide has a molecular weight of 281.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide is sourced from PubChem (CID 136997030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).