1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone

C15H11ClN4O — CID 764064

IUPAC1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O/c16-13-8-6-11(7-9-13)14(21)10-20-18-15(17-19-20)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVZWYPTQNFZBARL-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 764064) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID764064
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O/c16-13-8-6-11(7-9-13)14(21)10-20-18-15(17-19-20)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVZWYPTQNFZBARL-UHFFFAOYSA-N
XLogP2.88
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 764064) is 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is VZWYPTQNFZBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-13-8-6-11(7-9-13)14(21)10-20-18-15(17-19-20)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 298.73 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 764064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).