[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium

C19H20F4N3O2+ — CID 9118852

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F4N3O2/c1-12(13-3-2-4-14(9-13)19(21,22)23)24-10-17(27)25-11-18(28)26-16-7-5-15(20)6-8-16/h2-9,12,24H,10-11H2,1H3,(H,25,27)(H,26,28)/p+1/t12-/m1/s1
InChIKeyORSGXPYUVNQJDE-GFCCVEGCSA-O
MW398.38 g/mol
LogP2.22
Rot. Bonds7

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium (PubChem CID 9118852) has the molecular formula C19H20F4N3O2+ and a molecular weight of 398.38 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium
PubChem CID9118852
Molecular FormulaC19H20F4N3O2+
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F4N3O2/c1-12(13-3-2-4-14(9-13)19(21,22)23)24-10-17(27)25-11-18(28)26-16-7-5-15(20)6-8-16/h2-9,12,24H,10-11H2,1H3,(H,25,27)(H,26,28)/p+1/t12-/m1/s1
InChIKeyORSGXPYUVNQJDE-GFCCVEGCSA-O
XLogP2.22
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9335067
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
CID 9369456
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium
CID 9119294
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
(2S,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-hydroxy-2-methyl-3-phenylbutanamide
CID 124608859
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium (CID 9118852) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium is C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium?
The InChIKey is ORSGXPYUVNQJDE-GFCCVEGCSA-O. The full InChI is InChI=1S/C19H19F4N3O2/c1-12(13-3-2-4-14(9-13)19(21,22)23)24-10-17(27)25-11-18(28)26-16-7-5-15(20)6-8-16/h2-9,12,24H,10-11H2,1H3,(H,25,27)(H,26,28)/p+1/t12-/m1/s1.
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium has a molecular weight of 398.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium is sourced from PubChem (CID 9118852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).