1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C20H19FN6O3 — CID 18565526

IUPAC1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN6O3/c1-30-17-8-6-16(7-9-17)27-18(23-24-25-27)11-22-20(29)13-10-19(28)26(12-13)15-4-2-14(21)3-5-15/h2-9,13H,10-12H2,1H3,(H,22,29)
InChIKeyQHENGIJFCNBZCO-UHFFFAOYSA-N
MW410.41 g/mol
LogP1.48
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 18565526) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID18565526
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN6O3/c1-30-17-8-6-16(7-9-17)27-18(23-24-25-27)11-22-20(29)13-10-19(28)26(12-13)15-4-2-14(21)3-5-15/h2-9,13H,10-12H2,1H3,(H,22,29)
InChIKeyQHENGIJFCNBZCO-UHFFFAOYSA-N
XLogP1.48
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 18565526) is 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-n2nnnc2CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QHENGIJFCNBZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-30-17-8-6-16(7-9-17)27-18(23-24-25-27)11-22-20(29)13-10-19(28)26(12-13)15-4-2-14(21)3-5-15/h2-9,13H,10-12H2,1H3,(H,22,29).
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18565526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).