3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide

C16H20FN5O — CID 27554848

IUPAC3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O/c17-13-6-8-14(9-7-13)22-15(19-20-21-22)11-18-16(23)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H,18,23)
InChIKeyLXASYOUXHHZHLZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.39
Rot. Bonds6

About 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide

3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide (PubChem CID 27554848) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide
PubChem CID27554848
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O/c17-13-6-8-14(9-7-13)22-15(19-20-21-22)11-18-16(23)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H,18,23)
InChIKeyLXASYOUXHHZHLZ-UHFFFAOYSA-N
XLogP2.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide (CID 27554848) is 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide is O=C(CCC1CCCC1)NCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide?
The InChIKey is LXASYOUXHHZHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-13-6-8-14(9-7-13)22-15(19-20-21-22)11-18-16(23)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H,18,23).
What are the key properties of 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide?
3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide has a molecular weight of 317.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 27554848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).