2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide

C14H18FN5O — CID 16799271

IUPAC2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN5O/c1-3-10(4-2)14(21)16-9-13-17-18-19-20(13)12-7-5-11(15)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,21)
InChIKeySTJTXTANKOKLMJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.85
Rot. Bonds6

About 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide

2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide (PubChem CID 16799271) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide
PubChem CID16799271
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN5O/c1-3-10(4-2)14(21)16-9-13-17-18-19-20(13)12-7-5-11(15)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,21)
InChIKeySTJTXTANKOKLMJ-UHFFFAOYSA-N
XLogP1.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide (CID 16799271) is 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide is CCC(CC)C(=O)NCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide?
The InChIKey is STJTXTANKOKLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-3-10(4-2)14(21)16-9-13-17-18-19-20(13)12-7-5-11(15)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,21).
What are the key properties of 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide?
2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide has a molecular weight of 291.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]butanamide is sourced from PubChem (CID 16799271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).