N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide

C21H16FN5O2 — CID 129076945

IUPACN-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2ccccc2-c2ccccc2)c1=O)c1ccccc1F
InChIInChI=1S/C21H16FN5O2/c1-25(19-14-8-6-12-17(19)22)20(28)27-21(29)26(23-24-27)18-13-7-5-11-16(18)15-9-3-2-4-10-15/h2-14H,1H3
InChIKeyUJNKALGLRRLBLW-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.34
Rot. Bonds3

About N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide

N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide (PubChem CID 129076945) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide
PubChem CID129076945
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC NameN-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2ccccc2-c2ccccc2)c1=O)c1ccccc1F
InChIInChI=1S/C21H16FN5O2/c1-25(19-14-8-6-12-17(19)22)20(28)27-21(29)26(23-24-27)18-13-7-5-11-16(18)15-9-3-2-4-10-15/h2-14H,1H3
InChIKeyUJNKALGLRRLBLW-UHFFFAOYSA-N
XLogP3.34
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.34
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 N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide (CID 129076945) is N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide is CN(C(=O)n1nnn(-c2ccccc2-c2ccccc2)c1=O)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide?
The InChIKey is UJNKALGLRRLBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-25(19-14-8-6-12-17(19)22)20(28)27-21(29)26(23-24-27)18-13-7-5-11-16(18)15-9-3-2-4-10-15/h2-14H,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide?
N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-5-oxo-4-(2-phenylphenyl)tetrazole-1-carboxamide is sourced from PubChem (CID 129076945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).