N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

C11H12FN5O — CID 118576358

IUPACN-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1
InChIInChI=1S/C11H12FN5O/c1-2-10(18)13-6-7-3-4-8(9(12)5-7)11-14-16-17-15-11/h3-5H,2,6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyGFQGTSWEHGAPCS-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.03
Rot. Bonds4

About N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 118576358) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
PubChem CID118576358
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC NameN-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1
InChIInChI=1S/C11H12FN5O/c1-2-10(18)13-6-7-3-4-8(9(12)5-7)11-14-16-17-15-11/h3-5H,2,6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyGFQGTSWEHGAPCS-UHFFFAOYSA-N
XLogP1.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (CID 118576358) is N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is CCC(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is GFQGTSWEHGAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-2-10(18)13-6-7-3-4-8(9(12)5-7)11-14-16-17-15-11/h3-5H,2,6H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 249.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 118576358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).