3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide

C11H12FN5O — CID 47082931

IUPAC3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1cc(-c2nnn(CCC(N)=O)n2)ccc1F
InChIInChI=1S/C11H12FN5O/c1-7-6-8(2-3-9(7)12)11-14-16-17(15-11)5-4-10(13)18/h2-3,6H,4-5H2,1H3,(H2,13,18)
InChIKeyUARSBHNIKVNWFZ-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.66
Rot. Bonds4

About 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide

3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 47082931) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID47082931
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1cc(-c2nnn(CCC(N)=O)n2)ccc1F
InChIInChI=1S/C11H12FN5O/c1-7-6-8(2-3-9(7)12)11-14-16-17(15-11)5-4-10(13)18/h2-3,6H,4-5H2,1H3,(H2,13,18)
InChIKeyUARSBHNIKVNWFZ-UHFFFAOYSA-N
XLogP0.66
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide (CID 47082931) is 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide is Cc1cc(-c2nnn(CCC(N)=O)n2)ccc1F.
What is the InChIKey of 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is UARSBHNIKVNWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-7-6-8(2-3-9(7)12)11-14-16-17(15-11)5-4-10(13)18/h2-3,6H,4-5H2,1H3,(H2,13,18).
What are the key properties of 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 249.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 47082931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).