dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium

C18H20F3N2O+ — CID 2408731

IUPACdimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O/c1-23(2)16(13-6-4-3-5-7-13)12-22-17(24)14-8-10-15(11-9-14)18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1
InChIKeyBUZBXGZTHNWLEE-INIZCTEOSA-O
MW337.37 g/mol
LogP2.32
Rot. Bonds5

About dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium

dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium (PubChem CID 2408731) has the molecular formula C18H20F3N2O+ and a molecular weight of 337.37 g/mol. Its IUPAC name is dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
PubChem CID2408731
Molecular FormulaC18H20F3N2O+
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Namedimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O/c1-23(2)16(13-6-4-3-5-7-13)12-22-17(24)14-8-10-15(11-9-14)18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1
InChIKeyBUZBXGZTHNWLEE-INIZCTEOSA-O
XLogP2.32
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 7897281
[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 2433840
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
CID 8701479
[(1S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2117468
[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2112676
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
dimethyl-[(1R)-1-phenyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl]azanium
CID 2375617
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium?
The IUPAC name of dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium (CID 2408731) is dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium?
The canonical SMILES for dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium is C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium?
The InChIKey is BUZBXGZTHNWLEE-INIZCTEOSA-O. The full InChI is InChI=1S/C18H19F3N2O/c1-23(2)16(13-6-4-3-5-7-13)12-22-17(24)14-8-10-15(11-9-14)18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1.
What are the key properties of dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium?
dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium has a molecular weight of 337.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium is sourced from PubChem (CID 2408731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).