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

C16H9ClF3N3O2 — CID 43972351

IUPAC3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-3-1-2-10(8-12)13(24)21-15-23-22-14(25-15)9-4-6-11(7-5-9)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyCWZFMXCLCVRMEH-UHFFFAOYSA-N
MW367.71 g/mol
LogP4.66
Rot. Bonds3

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

3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43972351) has the molecular formula C16H9ClF3N3O2 and a molecular weight of 367.71 g/mol. Its IUPAC name is 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43972351
Molecular FormulaC16H9ClF3N3O2
Molecular Weight367.71 g/mol
Exact Mass367.03
IUPAC Name3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-3-1-2-10(8-12)13(24)21-15-23-22-14(25-15)9-4-6-11(7-5-9)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyCWZFMXCLCVRMEH-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43972351) is 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is CWZFMXCLCVRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2/c17-12-3-1-2-10(8-12)13(24)21-15-23-22-14(25-15)9-4-6-11(7-5-9)16(18,19)20/h1-8H,(H,21,23,24).
What are the key properties of 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]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 3-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43972351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).