N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide

C18H14F5N3O2 — CID 126544262

IUPACN-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(C2NN=C(C(F)(F)F)O2)cc1F)c1cccc(F)c1
InChIInChI=1S/C18H14F5N3O2/c1-10(27)26(14-4-2-3-13(19)8-14)9-12-6-5-11(7-15(12)20)16-24-25-17(28-16)18(21,22)23/h2-8,16,24H,9H2,1H3
InChIKeyBUQQVZNTQQZQKA-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.01
Rot. Bonds4

About N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide

N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide (PubChem CID 126544262) has the molecular formula C18H14F5N3O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide
PubChem CID126544262
Molecular FormulaC18H14F5N3O2
Molecular Weight399.32 g/mol
Exact Mass399.10
IUPAC NameN-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(C2NN=C(C(F)(F)F)O2)cc1F)c1cccc(F)c1
InChIInChI=1S/C18H14F5N3O2/c1-10(27)26(14-4-2-3-13(19)8-14)9-12-6-5-11(7-15(12)20)16-24-25-17(28-16)18(21,22)23/h2-8,16,24H,9H2,1H3
InChIKeyBUQQVZNTQQZQKA-UHFFFAOYSA-N
XLogP4.01
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide (CID 126544262) is N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide is CC(=O)N(Cc1ccc(C2NN=C(C(F)(F)F)O2)cc1F)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide?
The InChIKey is BUQQVZNTQQZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3O2/c1-10(27)26(14-4-2-3-13(19)8-14)9-12-6-5-11(7-15(12)20)16-24-25-17(28-16)18(21,22)23/h2-8,16,24H,9H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide?
N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide has a molecular weight of 399.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 126544262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).