1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one

C21H17F3N2O2 — CID 68560170

IUPAC1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1
InChIInChI=1S/C21H17F3N2O2/c1-14(27)10-15-4-2-5-16(11-15)17-8-9-20(25-13-17)26-18-6-3-7-19(12-18)28-21(22,23)24/h2-9,11-13H,10H2,1H3,(H,25,26)
InChIKeyFLUGYSURTGKAHR-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.52
Rot. Bonds6

About 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one

1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one (PubChem CID 68560170) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one
PubChem CID68560170
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1
InChIInChI=1S/C21H17F3N2O2/c1-14(27)10-15-4-2-5-16(11-15)17-8-9-20(25-13-17)26-18-6-3-7-19(12-18)28-21(22,23)24/h2-9,11-13H,10H2,1H3,(H,25,26)
InChIKeyFLUGYSURTGKAHR-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
CID 68563416
1-[2-methyl-4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]butan-2-one
CID 143998760
5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 162637331
N-[2-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]-3-[[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]sulfamoyl]propanamide
CID 90890348
methyl 2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]benzoate
CID 126598523
trans-(1R,2R)-2-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
CID 126566954
1-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
CID 126566979
3-[2,6-dimethoxy-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 126566961
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
CID 164589633
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one (CID 68560170) is 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one is CC(=O)Cc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1.
What is the InChIKey of 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one?
The InChIKey is FLUGYSURTGKAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-14(27)10-15-4-2-5-16(11-15)17-8-9-20(25-13-17)26-18-6-3-7-19(12-18)28-21(22,23)24/h2-9,11-13H,10H2,1H3,(H,25,26).
What are the key properties of 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one?
1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one has a molecular weight of 386.37 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one is sourced from PubChem (CID 68560170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).