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

C18H19ClF3N2O+ — CID 2555475

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O/c1-24(11-14-2-6-15(7-3-14)18(20,21)22)12-17(25)23-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,23,25)/p+1
InChIKeyDODITEVMPOBKRO-UHFFFAOYSA-O
MW371.81 g/mol
LogP2.69
Rot. Bonds6

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

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 2555475) has the molecular formula C18H19ClF3N2O+ and a molecular weight of 371.81 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID2555475
Molecular FormulaC18H19ClF3N2O+
Molecular Weight371.81 g/mol
Exact Mass371.11
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O/c1-24(11-14-2-6-15(7-3-14)18(20,21)22)12-17(25)23-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,23,25)/p+1
InChIKeyDODITEVMPOBKRO-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-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221563
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
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221571
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 8692080
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197762
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 9003233
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221573
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35650171
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 2555475) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is C[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is DODITEVMPOBKRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18ClF3N2O/c1-24(11-14-2-6-15(7-3-14)18(20,21)22)12-17(25)23-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,23,25)/p+1.
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
[2-[(4-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-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 2555475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).