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

C17H12F4N4O2 — CID 55897568

IUPAC2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESNC(=O)c1cc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1F
InChIInChI=1S/C17H12F4N4O2/c18-13-5-4-11(7-12(13)15(22)26)23-8-14-24-16(25-27-14)9-2-1-3-10(6-9)17(19,20)21/h1-7,23H,8H2,(H2,22,26)
InChIKeyPGZUVEYUGZOISO-UHFFFAOYSA-N
MW380.30 g/mol
LogP3.61
Rot. Bonds5

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

2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 55897568) has the molecular formula C17H12F4N4O2 and a molecular weight of 380.30 g/mol. Its IUPAC name is 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID55897568
Molecular FormulaC17H12F4N4O2
Molecular Weight380.30 g/mol
Exact Mass380.09
IUPAC Name2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESNC(=O)c1cc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1F
InChIInChI=1S/C17H12F4N4O2/c18-13-5-4-11(7-12(13)15(22)26)23-8-14-24-16(25-27-14)9-2-1-3-10(6-9)17(19,20)21/h1-7,23H,8H2,(H2,22,26)
InChIKeyPGZUVEYUGZOISO-UHFFFAOYSA-N
XLogP3.61
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 87029316
4-methyl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]chromen-2-one
CID 42949726
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960
N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 83278485
2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60537513
2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 55897310
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
methyl (3S)-3-(3-methoxyphenyl)-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]butanoate
CID 99792168
methyl 3-(3-methoxyphenyl)-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]butanoate
CID 102562505
N-(2,5-dichlorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755858
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 55897568) is 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide is NC(=O)c1cc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is PGZUVEYUGZOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O2/c18-13-5-4-11(7-12(13)15(22)26)23-8-14-24-16(25-27-14)9-2-1-3-10(6-9)17(19,20)21/h1-7,23H,8H2,(H2,22,26).
What are the key properties of 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 380.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 55897568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).