2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide

C17H23FN6O — CID 136520138

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCCC1CCC(C)N1CC(=O)Nc1cc(-n2nnnc2C)ccc1F
InChIInChI=1S/C17H23FN6O/c1-4-13-6-5-11(2)23(13)10-17(25)19-16-9-14(7-8-15(16)18)24-12(3)20-21-22-24/h7-9,11,13H,4-6,10H2,1-3H3,(H,19,25)
InChIKeyXHQDCYJVURIYLN-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.31
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide

2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 136520138) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID136520138
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCCC1CCC(C)N1CC(=O)Nc1cc(-n2nnnc2C)ccc1F
InChIInChI=1S/C17H23FN6O/c1-4-13-6-5-11(2)23(13)10-17(25)19-16-9-14(7-8-15(16)18)24-12(3)20-21-22-24/h7-9,11,13H,4-6,10H2,1-3H3,(H,19,25)
InChIKeyXHQDCYJVURIYLN-UHFFFAOYSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 136520138) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide is CCC1CCC(C)N1CC(=O)Nc1cc(-n2nnnc2C)ccc1F.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is XHQDCYJVURIYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-4-13-6-5-11(2)23(13)10-17(25)19-16-9-14(7-8-15(16)18)24-12(3)20-21-22-24/h7-9,11,13H,4-6,10H2,1-3H3,(H,19,25).
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 136520138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).