N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C21H20F4N2O3 — CID 86898610

IUPACN-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H20F4N2O3/c22-17-7-5-15(6-8-17)20(9-11-30-12-10-20)27-18(28)13-26-19(29)14-1-3-16(4-2-14)21(23,24)25/h1-8H,9-13H2,(H,26,29)(H,27,28)
InChIKeyWZUMEUMUEOEDBG-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.40
Rot. Bonds5

About N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 86898610) has the molecular formula C21H20F4N2O3 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID86898610
Molecular FormulaC21H20F4N2O3
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC NameN-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H20F4N2O3/c22-17-7-5-15(6-8-17)20(9-11-30-12-10-20)27-18(28)13-26-19(29)14-1-3-16(4-2-14)21(23,24)25/h1-8H,9-13H2,(H,26,29)(H,27,28)
InChIKeyWZUMEUMUEOEDBG-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27453183
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059246
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 86898610) is N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is WZUMEUMUEOEDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O3/c22-17-7-5-15(6-8-17)20(9-11-30-12-10-20)27-18(28)13-26-19(29)14-1-3-16(4-2-14)21(23,24)25/h1-8H,9-13H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 424.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86898610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).