N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide

C16H9ClF3N3O2 — CID 90665637

IUPACN-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nonc1-c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-7-3-9(4-8-12)13-14(23-25-22-13)21-15(24)10-1-5-11(6-2-10)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyFFQOEZFGIPWURB-UHFFFAOYSA-N
MW367.71 g/mol
LogP4.66
Rot. Bonds3

About N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide

N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 90665637) has the molecular formula C16H9ClF3N3O2 and a molecular weight of 367.71 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID90665637
Molecular FormulaC16H9ClF3N3O2
Molecular Weight367.71 g/mol
Exact Mass367.03
IUPAC NameN-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nonc1-c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-7-3-9(4-8-12)13-14(23-25-22-13)21-15(24)10-1-5-11(6-2-10)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyFFQOEZFGIPWURB-UHFFFAOYSA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide 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 N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide (CID 90665637) is N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1nonc1-c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is FFQOEZFGIPWURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2/c17-12-7-3-9(4-8-12)13-14(23-25-22-13)21-15(24)10-1-5-11(6-2-10)16(18,19)20/h1-8H,(H,21,23,24).
What are the key properties of N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide?
N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 367.71 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90665637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).