N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide

C12H16F3N3O — CID 108994740

IUPACN-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
SMILESCN(C)CCNC(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C12H16F3N3O/c1-18(2)6-5-16-10(19)7-17-9-4-3-8(13)11(14)12(9)15/h3-4,17H,5-7H2,1-2H3,(H,16,19)
InChIKeyMYRUZZFYIGDBTO-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide

N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide (PubChem CID 108994740) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
PubChem CID108994740
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
SMILESCN(C)CCNC(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C12H16F3N3O/c1-18(2)6-5-16-10(19)7-17-9-4-3-8(13)11(14)12(9)15/h3-4,17H,5-7H2,1-2H3,(H,16,19)
InChIKeyMYRUZZFYIGDBTO-UHFFFAOYSA-N
XLogP1.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.19
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

N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
methyl 2,3-difluoro-4-[[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 79838074
N,N-dipropyl-2-(2,3,4-trifluoroanilino)acetamide
CID 109006692
2-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994657
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141306049
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109229444
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide (CID 108994740) is N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide is CN(C)CCNC(=O)CNc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide?
The InChIKey is MYRUZZFYIGDBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18(2)6-5-16-10(19)7-17-9-4-3-8(13)11(14)12(9)15/h3-4,17H,5-7H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide?
N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide is sourced from PubChem (CID 108994740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).