N-methyl-2-(2,3,4-trifluoroanilino)acetamide

C9H9F3N2O — CID 28574383

IUPACN-methyl-2-(2,3,4-trifluoroanilino)acetamide
SMILESCNC(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C9H9F3N2O/c1-13-7(15)4-14-6-3-2-5(10)8(11)9(6)12/h2-3,14H,4H2,1H3,(H,13,15)
InChIKeyOMGROHUMYOZKHS-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-2-(2,3,4-trifluoroanilino)acetamide

N-methyl-2-(2,3,4-trifluoroanilino)acetamide (PubChem CID 28574383) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N-methyl-2-(2,3,4-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2,3,4-trifluoroanilino)acetamide
PubChem CID28574383
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN-methyl-2-(2,3,4-trifluoroanilino)acetamide
SMILESCNC(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C9H9F3N2O/c1-13-7(15)4-14-6-3-2-5(10)8(11)9(6)12/h2-3,14H,4H2,1H3,(H,13,15)
InChIKeyOMGROHUMYOZKHS-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-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 108994740
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 31675054
N,N-dipropyl-2-(2,3,4-trifluoroanilino)acetamide
CID 109006692
2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
CID 66045918
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 51862267
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 39447577
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855
2-methyl-3-(2,3,4-trifluoroanilino)propanamide
CID 43312047

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
The IUPAC name of N-methyl-2-(2,3,4-trifluoroanilino)acetamide (CID 28574383) is N-methyl-2-(2,3,4-trifluoroanilino)acetamide.
What is the SMILES notation for N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
The canonical SMILES for N-methyl-2-(2,3,4-trifluoroanilino)acetamide is CNC(=O)CNc1ccc(F)c(F)c1F.
What is the InChIKey of N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
The InChIKey is OMGROHUMYOZKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-13-7(15)4-14-6-3-2-5(10)8(11)9(6)12/h2-3,14H,4H2,1H3,(H,13,15).
What are the key properties of N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
N-methyl-2-(2,3,4-trifluoroanilino)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 N-methyl-2-(2,3,4-trifluoroanilino)acetamide is sourced from PubChem (CID 28574383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).