N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

C16H10ClF2N3O3 — CID 9208452

IUPACN-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H10ClF2N3O3/c17-10-3-6-13(12(19)7-10)20-14(23)8-22-16(24)25-15(21-22)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,20,23)
InChIKeyXPNZZSOWIJCFFO-UHFFFAOYSA-N
MW365.72 g/mol
LogP3.07
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 9208452) has the molecular formula C16H10ClF2N3O3 and a molecular weight of 365.72 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID9208452
Molecular FormulaC16H10ClF2N3O3
Molecular Weight365.72 g/mol
Exact Mass365.04
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H10ClF2N3O3/c17-10-3-6-13(12(19)7-10)20-14(23)8-22-16(24)25-15(21-22)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,20,23)
InChIKeyXPNZZSOWIJCFFO-UHFFFAOYSA-N
XLogP3.07
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 9208452) is N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is XPNZZSOWIJCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O3/c17-10-3-6-13(12(19)7-10)20-14(23)8-22-16(24)25-15(21-22)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,20,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 365.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 9208452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).