[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium

C12H15F3N3O2+ — CID 8771629

IUPAC[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-16-10(19)6-17-7-11(20)18-9-4-2-3-8(5-9)12(13,14)15/h2-5,17H,6-7H2,1H3,(H,16,19)(H,18,20)/p+1
InChIKeyWBYMRKYGOQFNGY-UHFFFAOYSA-O
MW290.27 g/mol
LogP-0.05
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium

[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 8771629) has the molecular formula C12H15F3N3O2+ and a molecular weight of 290.27 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID8771629
Molecular FormulaC12H15F3N3O2+
Molecular Weight290.27 g/mol
Exact Mass290.11
IUPAC Name[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-16-10(19)6-17-7-11(20)18-9-4-2-3-8(5-9)12(13,14)15/h2-5,17H,6-7H2,1H3,(H,16,19)(H,18,20)/p+1
InChIKeyWBYMRKYGOQFNGY-UHFFFAOYSA-O
XLogP-0.05
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
CID 9369456
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771641

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium (CID 8771629) is [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium is CNC(=O)C[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is WBYMRKYGOQFNGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14F3N3O2/c1-16-10(19)6-17-7-11(20)18-9-4-2-3-8(5-9)12(13,14)15/h2-5,17H,6-7H2,1H3,(H,16,19)(H,18,20)/p+1.
What are the key properties of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 290.27 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 8771629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).