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

C19H16F2N6O2 — CID 16799311

IUPAC1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F2N6O2/c20-13-1-5-15(6-2-13)26-11-12(9-18(26)28)19(29)22-10-17-23-24-25-27(17)16-7-3-14(21)4-8-16/h1-8,12H,9-11H2,(H,22,29)
InChIKeyVXYZZGPUEJPZIM-UHFFFAOYSA-N
MW398.37 g/mol
LogP1.61
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 16799311) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID16799311
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC Name1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F2N6O2/c20-13-1-5-15(6-2-13)26-11-12(9-18(26)28)19(29)22-10-17-23-24-25-27(17)16-7-3-14(21)4-8-16/h1-8,12H,9-11H2,(H,22,29)
InChIKeyVXYZZGPUEJPZIM-UHFFFAOYSA-N
XLogP1.61
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 16799311) is 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1nnnn1-c1ccc(F)cc1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXYZZGPUEJPZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c20-13-1-5-15(6-2-13)26-11-12(9-18(26)28)19(29)22-10-17-23-24-25-27(17)16-7-3-14(21)4-8-16/h1-8,12H,9-11H2,(H,22,29).
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16799311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).