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

C12H14FN5O — CID 66853598

IUPACN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H14FN5O/c1-2-3-4-11(19)14-10-6-8(5-9(13)7-10)12-15-17-18-16-12/h5-7H,2-4H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyPLYILZZEMAWWIS-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.13
Rot. Bonds5

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

N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide (PubChem CID 66853598) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
PubChem CID66853598
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC NameN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H14FN5O/c1-2-3-4-11(19)14-10-6-8(5-9(13)7-10)12-15-17-18-16-12/h5-7H,2-4H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyPLYILZZEMAWWIS-UHFFFAOYSA-N
XLogP2.13
TPSA83.56 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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide?
The IUPAC name of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide (CID 66853598) is N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide.
What is the SMILES notation for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide?
The canonical SMILES for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide is CCCCC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide?
The InChIKey is PLYILZZEMAWWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-2-3-4-11(19)14-10-6-8(5-9(13)7-10)12-15-17-18-16-12/h5-7H,2-4H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide?
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide has a molecular weight of 263.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide is sourced from PubChem (CID 66853598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).