[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

C18H19ClF3N2O+ — CID 9221563

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](CC(=O)NCc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O/c1-24(11-13-6-8-15(9-7-13)18(20,21)22)12-17(25)23-10-14-4-2-3-5-16(14)19/h2-9H,10-12H2,1H3,(H,23,25)/p+1
InChIKeyIBMLPZIVNPIFSH-UHFFFAOYSA-O
MW371.81 g/mol
LogP2.69
Rot. Bonds6

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 9221563) has the molecular formula C18H19ClF3N2O+ and a molecular weight of 371.81 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID9221563
Molecular FormulaC18H19ClF3N2O+
Molecular Weight371.81 g/mol
Exact Mass371.11
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](CC(=O)NCc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O/c1-24(11-13-6-8-15(9-7-13)18(20,21)22)12-17(25)23-10-14-4-2-3-5-16(14)19/h2-9H,10-12H2,1H3,(H,23,25)/p+1
InChIKeyIBMLPZIVNPIFSH-UHFFFAOYSA-O
XLogP2.69
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2555475
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 9168011
methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595897
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8710176
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221571
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221573
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
(3S)-N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9079138
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 9221563) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is C[NH+](CC(=O)NCc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is IBMLPZIVNPIFSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18ClF3N2O/c1-24(11-13-6-8-15(9-7-13)18(20,21)22)12-17(25)23-10-14-4-2-3-5-16(14)19/h2-9H,10-12H2,1H3,(H,23,25)/p+1.
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 371.81 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 9221563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).