[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium

C23H19Cl3F3N2O+ — CID 2498774

IUPAC[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](Cc1cccc(Cl)c1Cl)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H18Cl3F3N2O/c1-31(13-15-8-5-9-19(25)20(15)26)21(14-6-3-2-4-7-14)22(32)30-16-10-11-18(24)17(12-16)23(27,28)29/h2-12,21H,13H2,1H3,(H,30,32)/p+1/t21-/m0/s1
InChIKeyQLLPLDVKAFFLEO-NRFANRHFSA-O
MW502.77 g/mol
LogP6.06
Rot. Bonds6

About [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium

[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium (PubChem CID 2498774) has the molecular formula C23H19Cl3F3N2O+ and a molecular weight of 502.77 g/mol. Its IUPAC name is [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
PubChem CID2498774
Molecular FormulaC23H19Cl3F3N2O+
Molecular Weight502.77 g/mol
Exact Mass501.05
IUPAC Name[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](Cc1cccc(Cl)c1Cl)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H18Cl3F3N2O/c1-31(13-15-8-5-9-19(25)20(15)26)21(14-6-3-2-4-7-14)22(32)30-16-10-11-18(24)17(12-16)23(27,28)29/h2-12,21H,13H2,1H3,(H,30,32)/p+1/t21-/m0/s1
InChIKeyQLLPLDVKAFFLEO-NRFANRHFSA-O
XLogP6.06
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 7863182
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 6-acetamidopyridine-2-carboxylate
CID 42933146
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43245776
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-phenylacetamide
CID 4518590
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
(2R,3R)-2,3-dibenzoyloxy-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 51037777
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053034
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
CID 18270404

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The IUPAC name of [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium (CID 2498774) is [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The canonical SMILES for [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium is C[NH+](Cc1cccc(Cl)c1Cl)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The InChIKey is QLLPLDVKAFFLEO-NRFANRHFSA-O. The full InChI is InChI=1S/C23H18Cl3F3N2O/c1-31(13-15-8-5-9-19(25)20(15)26)21(14-6-3-2-4-7-14)22(32)30-16-10-11-18(24)17(12-16)23(27,28)29/h2-12,21H,13H2,1H3,(H,30,32)/p+1/t21-/m0/s1.
What are the key properties of [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium has a molecular weight of 502.77 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 2498774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).