[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

C19H20ClF3N3O2+ — CID 9286490

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-12-7-8-13(9-15(12)20)24-17(27)10-26(2)11-18(28)25-16-6-4-3-5-14(16)19(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)(H,25,28)/p+1
InChIKeyIRBUKCKRYYNDOJ-UHFFFAOYSA-O
MW414.84 g/mol
LogP2.76
Rot. Bonds6

About [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 9286490) has the molecular formula C19H20ClF3N3O2+ and a molecular weight of 414.84 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID9286490
Molecular FormulaC19H20ClF3N3O2+
Molecular Weight414.84 g/mol
Exact Mass414.12
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-12-7-8-13(9-15(12)20)24-17(27)10-26(2)11-18(28)25-16-6-4-3-5-14(16)19(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)(H,25,28)/p+1
InChIKeyIRBUKCKRYYNDOJ-UHFFFAOYSA-O
XLogP2.76
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9222103
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049037
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879
(4-tert-butylphenyl)methyl-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2477413
benzhydryl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2461411

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 9286490) is [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is IRBUKCKRYYNDOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-12-7-8-13(9-15(12)20)24-17(27)10-26(2)11-18(28)25-16-6-4-3-5-14(16)19(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 414.84 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 9286490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).