1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

C16H10ClF3N4O — CID 1241565

IUPAC1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N4O/c17-13-6-4-10(5-7-13)14(25)9-24-22-15(21-23-24)11-2-1-3-12(8-11)16(18,19)20/h1-8H,9H2
InChIKeyXJHNKLIDDAUPPL-UHFFFAOYSA-N
MW366.73 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (PubChem CID 1241565) has the molecular formula C16H10ClF3N4O and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
PubChem CID1241565
Molecular FormulaC16H10ClF3N4O
Molecular Weight366.73 g/mol
Exact Mass366.05
IUPAC Name1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N4O/c17-13-6-4-10(5-7-13)14(25)9-24-22-15(21-23-24)11-2-1-3-12(8-11)16(18,19)20/h1-8H,9H2
InChIKeyXJHNKLIDDAUPPL-UHFFFAOYSA-N
XLogP3.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (CID 1241565) is 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The InChIKey is XJHNKLIDDAUPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O/c17-13-6-4-10(5-7-13)14(25)9-24-22-15(21-23-24)11-2-1-3-12(8-11)16(18,19)20/h1-8H,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone has a molecular weight of 366.73 g/mol, XLogP of 3.90, 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-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 1241565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).