3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide

C19H17F5N2O3 — CID 56581375

IUPAC3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide
SMILESCC(COc1ccccc1C(F)(F)F)NC(=O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F5N2O3/c1-11(10-29-16-5-3-2-4-15(16)19(22,23)24)26-17(27)9-25-18(28)12-6-13(20)8-14(21)7-12/h2-8,11H,9-10H2,1H3,(H,25,28)(H,26,27)
InChIKeyILKVFXAWTJPDLW-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.30
Rot. Bonds7

About 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide

3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide (PubChem CID 56581375) has the molecular formula C19H17F5N2O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide
PubChem CID56581375
Molecular FormulaC19H17F5N2O3
Molecular Weight416.35 g/mol
Exact Mass416.12
IUPAC Name3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide
SMILESCC(COc1ccccc1C(F)(F)F)NC(=O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F5N2O3/c1-11(10-29-16-5-3-2-4-15(16)19(22,23)24)26-17(27)9-25-18(28)12-6-13(20)8-14(21)7-12/h2-8,11H,9-10H2,1H3,(H,25,28)(H,26,27)
InChIKeyILKVFXAWTJPDLW-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide with MolForge

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Related Compounds

1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
CID 94657175
3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide
CID 94621379
1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 86832975
1-propan-2-yl-5-(trifluoromethyl)-N-[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 52833776
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]butanamide
CID 71685323
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
2-acetamido-3-[2-(trifluoromethyl)phenoxy]propanoic acid
CID 65442776
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide
CID 75519763
2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95159960
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide (CID 56581375) is 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide is CC(COc1ccccc1C(F)(F)F)NC(=O)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide?
The InChIKey is ILKVFXAWTJPDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O3/c1-11(10-29-16-5-3-2-4-15(16)19(22,23)24)26-17(27)9-25-18(28)12-6-13(20)8-14(21)7-12/h2-8,11H,9-10H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide?
3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide has a molecular weight of 416.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide is sourced from PubChem (CID 56581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).