2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide

C10H10FN5O — CID 66855534

IUPAC2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C(N)=O)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H10FN5O/c1-5(9(12)17)6-2-7(4-8(11)3-6)10-13-15-16-14-10/h2-5H,1H3,(H2,12,17)(H,13,14,15,16)
InChIKeyDPQYWVRQLUFRSP-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.59
Rot. Bonds3

About 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide

2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 66855534) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID66855534
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C(N)=O)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H10FN5O/c1-5(9(12)17)6-2-7(4-8(11)3-6)10-13-15-16-14-10/h2-5H,1H3,(H2,12,17)(H,13,14,15,16)
InChIKeyDPQYWVRQLUFRSP-UHFFFAOYSA-N
XLogP0.59
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide (CID 66855534) is 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide is CC(C(N)=O)c1cc(F)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is DPQYWVRQLUFRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-5(9(12)17)6-2-7(4-8(11)3-6)10-13-15-16-14-10/h2-5H,1H3,(H2,12,17)(H,13,14,15,16).
What are the key properties of 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 235.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 66855534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).