[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium

C16H18F3N2O2+ — CID 2449545

IUPAC[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccco1
InChIInChI=1S/C16H17F3N2O2/c1-21(2)13(14-8-5-9-23-14)10-20-15(22)11-6-3-4-7-12(11)16(17,18)19/h3-9,13H,10H2,1-2H3,(H,20,22)/p+1/t13-/m0/s1
InChIKeyWOIXGZHDTJWLRW-ZDUSSCGKSA-O
MW327.33 g/mol
LogP1.91
Rot. Bonds5

About [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium

[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium (PubChem CID 2449545) has the molecular formula C16H18F3N2O2+ and a molecular weight of 327.33 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
PubChem CID2449545
Molecular FormulaC16H18F3N2O2+
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccco1
InChIInChI=1S/C16H17F3N2O2/c1-21(2)13(14-8-5-9-23-14)10-20-15(22)11-6-3-4-7-12(11)16(17,18)19/h3-9,13H,10H2,1-2H3,(H,20,22)/p+1/t13-/m0/s1
InChIKeyWOIXGZHDTJWLRW-ZDUSSCGKSA-O
XLogP1.91
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 131701791
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
[(1R)-1-(furan-2-yl)-2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]-dimethylazanium
CID 7831147
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
[(1S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2450333
[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7831812
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501946
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium (CID 2449545) is [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccco1.
What is the InChIKey of [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium?
The InChIKey is WOIXGZHDTJWLRW-ZDUSSCGKSA-O. The full InChI is InChI=1S/C16H17F3N2O2/c1-21(2)13(14-8-5-9-23-14)10-20-15(22)11-6-3-4-7-12(11)16(17,18)19/h3-9,13H,10H2,1-2H3,(H,20,22)/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium?
[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium has a molecular weight of 327.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 2449545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).