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

C12H14FN5O — CID 66853596

IUPAC2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
SMILESCCCC(C(N)=O)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H14FN5O/c1-2-3-10(11(14)19)7-4-8(6-9(13)5-7)12-15-17-18-16-12/h4-6,10H,2-3H2,1H3,(H2,14,19)(H,15,16,17,18)
InChIKeyRGZDNOSSSPAREQ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.37
Rot. Bonds5

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

2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide (PubChem CID 66853596) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
PubChem CID66853596
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
SMILESCCCC(C(N)=O)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H14FN5O/c1-2-3-10(11(14)19)7-4-8(6-9(13)5-7)12-15-17-18-16-12/h4-6,10H,2-3H2,1H3,(H2,14,19)(H,15,16,17,18)
InChIKeyRGZDNOSSSPAREQ-UHFFFAOYSA-N
XLogP1.37
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.37
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]pentanamide?
The IUPAC name of 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide (CID 66853596) is 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide.
What is the SMILES notation for 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide?
The canonical SMILES for 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide is CCCC(C(N)=O)c1cc(F)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide?
The InChIKey is RGZDNOSSSPAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-2-3-10(11(14)19)7-4-8(6-9(13)5-7)12-15-17-18-16-12/h4-6,10H,2-3H2,1H3,(H2,14,19)(H,15,16,17,18).
What are the key properties of 2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide?
2-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide has a molecular weight of 263.28 g/mol, XLogP of 1.37, 5 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]pentanamide is sourced from PubChem (CID 66853596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).