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

C11H14F3N3O — CID 62686094

IUPAC2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CCN)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3N3O/c1-17(5-4-15)6-9(18)16-8-3-2-7(12)10(13)11(8)14/h2-3H,4-6,15H2,1H3,(H,16,18)
InChIKeyIIKCAPNRSLLEOZ-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.93
Rot. Bonds5

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

2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 62686094) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID62686094
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CCN)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3N3O/c1-17(5-4-15)6-9(18)16-8-3-2-7(12)10(13)11(8)14/h2-3H,4-6,15H2,1H3,(H,16,18)
InChIKeyIIKCAPNRSLLEOZ-UHFFFAOYSA-N
XLogP0.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709895
2-[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197603
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197970
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197449
2-[2-aminoethyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 62687733
methyl (2S,3R)-3-methyl-2-[[2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetyl]amino]pentanoate
CID 8550979
2-[[2-(3-ethylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197882

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 62686094) is 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CCN)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is IIKCAPNRSLLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17(5-4-15)6-9(18)16-8-3-2-7(12)10(13)11(8)14/h2-3H,4-6,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 261.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 62686094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).