[2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium

C18H20F3N2O+ — CID 2455180

IUPAC[2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium
SMILESCc1cccc(NC(=O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O/c1-13-3-2-4-16(11-13)23-17(24)12-22-10-9-14-5-7-15(8-6-14)18(19,20)21/h2-8,11,22H,9-10,12H2,1H3,(H,23,24)/p+1
InChIKeyCHZUADIJBNBTBY-UHFFFAOYSA-O
MW337.37 g/mol
LogP2.76
Rot. Bonds6

About [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium

[2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium (PubChem CID 2455180) has the molecular formula C18H20F3N2O+ and a molecular weight of 337.37 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium
PubChem CID2455180
Molecular FormulaC18H20F3N2O+
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name[2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium
SMILESCc1cccc(NC(=O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O/c1-13-3-2-4-16(11-13)23-17(24)12-22-10-9-14-5-7-15(8-6-14)18(19,20)21/h2-8,11,22H,9-10,12H2,1H3,(H,23,24)/p+1
InChIKeyCHZUADIJBNBTBY-UHFFFAOYSA-O
XLogP2.76
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium 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

[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
CID 8771629
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
1-N'-(3-methylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108980789
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
N-(3-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55462625
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 7144701
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N-(3-methylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435502
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 4276041
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161689

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium (CID 2455180) is [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium is Cc1cccc(NC(=O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium?
The InChIKey is CHZUADIJBNBTBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19F3N2O/c1-13-3-2-4-16(11-13)23-17(24)12-22-10-9-14-5-7-15(8-6-14)18(19,20)21/h2-8,11,22H,9-10,12H2,1H3,(H,23,24)/p+1.
What are the key properties of [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium?
[2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium has a molecular weight of 337.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium is sourced from PubChem (CID 2455180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).