N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide

C16H19FN6O3 — CID 86567593

IUPACN-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C(=O)n2nnn(-c3cccc(F)c3)c2=O)C1
InChIInChI=1S/C16H19FN6O3/c1-3-21(11(2)24)14-7-8-20(10-14)15(25)23-16(26)22(18-19-23)13-6-4-5-12(17)9-13/h4-6,9,14H,3,7-8,10H2,1-2H3
InChIKeyZLYXPHNGEVIHIS-UHFFFAOYSA-N
MW362.37 g/mol
LogP0.48
Rot. Bonds3

About N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide

N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 86567593) has the molecular formula C16H19FN6O3 and a molecular weight of 362.37 g/mol. Its IUPAC name is N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID86567593
Molecular FormulaC16H19FN6O3
Molecular Weight362.37 g/mol
Exact Mass362.15
IUPAC NameN-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C(=O)n2nnn(-c3cccc(F)c3)c2=O)C1
InChIInChI=1S/C16H19FN6O3/c1-3-21(11(2)24)14-7-8-20(10-14)15(25)23-16(26)22(18-19-23)13-6-4-5-12(17)9-13/h4-6,9,14H,3,7-8,10H2,1-2H3
InChIKeyZLYXPHNGEVIHIS-UHFFFAOYSA-N
XLogP0.48
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide (CID 86567593) is N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide is CCN(C(C)=O)C1CCN(C(=O)n2nnn(-c3cccc(F)c3)c2=O)C1.
What is the InChIKey of N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZLYXPHNGEVIHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O3/c1-3-21(11(2)24)14-7-8-20(10-14)15(25)23-16(26)22(18-19-23)13-6-4-5-12(17)9-13/h4-6,9,14H,3,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 362.37 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 86567593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).