2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C18H19F3N2O2 — CID 9197449

IUPAC2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1cccc(OCCN(C)CC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H19F3N2O2/c1-12-4-3-5-13(10-12)25-9-8-23(2)11-16(24)22-15-7-6-14(19)17(20)18(15)21/h3-7,10H,8-9,11H2,1-2H3,(H,22,24)
InChIKeyGLXJMNWAAIZJFI-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.36
Rot. Bonds7

About 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9197449) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9197449
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1cccc(OCCN(C)CC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H19F3N2O2/c1-12-4-3-5-13(10-12)25-9-8-23(2)11-16(24)22-15-7-6-14(19)17(20)18(15)21/h3-7,10H,8-9,11H2,1-2H3,(H,22,24)
InChIKeyGLXJMNWAAIZJFI-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27121782
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616
2-[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197603
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
CID 8793773
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 9197449) is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is Cc1cccc(OCCN(C)CC(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is GLXJMNWAAIZJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12-4-3-5-13(10-12)25-9-8-23(2)11-16(24)22-15-7-6-14(19)17(20)18(15)21/h3-7,10H,8-9,11H2,1-2H3,(H,22,24).
What are the key properties of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 352.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9197449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).