[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone

C15H11FN4O — CID 146167325

IUPAC[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nnn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H11FN4O/c1-10-2-4-11(5-3-10)14(21)15-17-19-20(18-15)13-8-6-12(16)7-9-13/h2-9H,1H3
InChIKeyCJUFEUGHBZLZNU-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.34
Rot. Bonds3

About [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone

[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone (PubChem CID 146167325) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone
PubChem CID146167325
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nnn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H11FN4O/c1-10-2-4-11(5-3-10)14(21)15-17-19-20(18-15)13-8-6-12(16)7-9-13/h2-9H,1H3
InChIKeyCJUFEUGHBZLZNU-UHFFFAOYSA-N
XLogP2.34
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791443
N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791280
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
CID 73012259
2-(4-bromophenyl)tetrazole-5-carboxamide
CID 71791716
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)tetrazole-5-carboxamide
CID 71791342
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
CID 46269691
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
[4-[5-(4-methylphenyl)tetrazol-2-yl]phenyl]methanol
CID 54249848
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
CID 170873795
5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
CID 2797241
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone (CID 146167325) is [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2nnn(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone?
The InChIKey is CJUFEUGHBZLZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-10-2-4-11(5-3-10)14(21)15-17-19-20(18-15)13-8-6-12(16)7-9-13/h2-9H,1H3.
What are the key properties of [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone?
[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone has a molecular weight of 282.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 146167325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).