1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one

C16H11F2N5O2 — CID 58502306

IUPAC1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one
SMILESO=C(N1CCc2ccccc21)n1nnn(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C16H11F2N5O2/c17-11-5-3-6-12(18)14(11)22-16(25)23(20-19-22)15(24)21-9-8-10-4-1-2-7-13(10)21/h1-7H,8-9H2
InChIKeyOAJFVDNIPVQGQB-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.74
Rot. Bonds1

About 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one

1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one (PubChem CID 58502306) has the molecular formula C16H11F2N5O2 and a molecular weight of 343.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one
PubChem CID58502306
Molecular FormulaC16H11F2N5O2
Molecular Weight343.29 g/mol
Exact Mass343.09
IUPAC Name1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one
SMILESO=C(N1CCc2ccccc21)n1nnn(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C16H11F2N5O2/c17-11-5-3-6-12(18)14(11)22-16(25)23(20-19-22)15(24)21-9-8-10-4-1-2-7-13(10)21/h1-7H,8-9H2
InChIKeyOAJFVDNIPVQGQB-UHFFFAOYSA-N
XLogP1.74
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one?
The IUPAC name of 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one (CID 58502306) is 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one is O=C(N1CCc2ccccc21)n1nnn(-c2c(F)cccc2F)c1=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one?
The InChIKey is OAJFVDNIPVQGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O2/c17-11-5-3-6-12(18)14(11)22-16(25)23(20-19-22)15(24)21-9-8-10-4-1-2-7-13(10)21/h1-7H,8-9H2.
What are the key properties of 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one?
1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one has a molecular weight of 343.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)tetrazol-5-one is sourced from PubChem (CID 58502306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).