2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide

C9H9F3N2O — CID 62813194

IUPAC2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
SMILESCNCC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3N2O/c1-13-4-8(15)14-5-2-6(10)9(12)7(11)3-5/h2-3,13H,4H2,1H3,(H,14,15)
InChIKeyQIQOFEXZRJXCJH-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.26
Rot. Bonds3

About 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide

2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 62813194) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID62813194
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
SMILESCNCC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3N2O/c1-13-4-8(15)14-5-2-6(10)9(12)7(11)3-5/h2-3,13H,4H2,1H3,(H,14,15)
InChIKeyQIQOFEXZRJXCJH-UHFFFAOYSA-N
XLogP1.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
2-anilino-N-(3,4,5-trifluorophenyl)acetamide
CID 62811643
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide
CID 145028711
2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
CID 79478578
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-ethyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810089
N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide
CID 146657782
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide (CID 62813194) is 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide is CNCC(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is QIQOFEXZRJXCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-13-4-8(15)14-5-2-6(10)9(12)7(11)3-5/h2-3,13H,4H2,1H3,(H,14,15).
What are the key properties of 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide?
2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 218.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 62813194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).