N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide

C11H10FN5O2 — CID 54867267

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C11H10FN5O2/c1-7(18)4-11(19)14-10-5-8(2-3-9(10)12)17-6-13-15-16-17/h2-3,5-6H,4H2,1H3,(H,14,19)
InChIKeyVDJLFUYLECPCAC-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.72
Rot. Bonds4

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide (PubChem CID 54867267) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
PubChem CID54867267
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C11H10FN5O2/c1-7(18)4-11(19)14-10-5-8(2-3-9(10)12)17-6-13-15-16-17/h2-3,5-6H,4H2,1H3,(H,14,19)
InChIKeyVDJLFUYLECPCAC-UHFFFAOYSA-N
XLogP0.72
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide (CID 54867267) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide is CC(=O)CC(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide?
The InChIKey is VDJLFUYLECPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c1-7(18)4-11(19)14-10-5-8(2-3-9(10)12)17-6-13-15-16-17/h2-3,5-6H,4H2,1H3,(H,14,19).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide has a molecular weight of 263.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide is sourced from PubChem (CID 54867267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).