N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide

C22H18FN5O — CID 16799301

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18FN5O/c23-18-11-13-19(14-12-18)28-20(25-26-27-28)15-24-22(29)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,29)
InChIKeyXSTADDICOHYFPU-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.25
Rot. Bonds6

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide (PubChem CID 16799301) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide
PubChem CID16799301
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18FN5O/c23-18-11-13-19(14-12-18)28-20(25-26-27-28)15-24-22(29)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,29)
InChIKeyXSTADDICOHYFPU-UHFFFAOYSA-N
XLogP3.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide (CID 16799301) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide is O=C(NCc1nnnn1-c1ccc(F)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide?
The InChIKey is XSTADDICOHYFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-18-11-13-19(14-12-18)28-20(25-26-27-28)15-24-22(29)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,29).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide has a molecular weight of 387.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 16799301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).