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

C17H11F4N3O4 — CID 22620267

IUPACN-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1nn(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)c(F)c2)c(=O)o1
InChIInChI=1S/C17H11F4N3O4/c1-27-15-23-24(16(26)28-15)11-6-7-13(12(18)8-11)22-14(25)9-2-4-10(5-3-9)17(19,20)21/h2-8H,1H3,(H,22,25)
InChIKeyPBNRFAMNCFKUJO-UHFFFAOYSA-N
MW397.28 g/mol
LogP3.24
Rot. Bonds4

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

N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 22620267) has the molecular formula C17H11F4N3O4 and a molecular weight of 397.28 g/mol. Its IUPAC name is N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID22620267
Molecular FormulaC17H11F4N3O4
Molecular Weight397.28 g/mol
Exact Mass397.07
IUPAC NameN-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1nn(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)c(F)c2)c(=O)o1
InChIInChI=1S/C17H11F4N3O4/c1-27-15-23-24(16(26)28-15)11-6-7-13(12(18)8-11)22-14(25)9-2-4-10(5-3-9)17(19,20)21/h2-8H,1H3,(H,22,25)
InChIKeyPBNRFAMNCFKUJO-UHFFFAOYSA-N
XLogP3.24
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 22620267) is N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide is COc1nn(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)c(F)c2)c(=O)o1.
What is the InChIKey of N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is PBNRFAMNCFKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O4/c1-27-15-23-24(16(26)28-15)11-6-7-13(12(18)8-11)22-14(25)9-2-4-10(5-3-9)17(19,20)21/h2-8H,1H3,(H,22,25).
What are the key properties of N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 397.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 22620267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).