3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide

C13H18F3N3O — CID 82999560

IUPAC3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(C)CCC(F)(F)F)c(N)c1
InChIInChI=1S/C13H18F3N3O/c1-3-18-12(20)9-4-5-11(10(17)8-9)19(2)7-6-13(14,15)16/h4-5,8H,3,6-7,17H2,1-2H3,(H,18,20)
InChIKeyTZYQQIXWMAQUPX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.41
Rot. Bonds5

About 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide

3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide (PubChem CID 82999560) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
PubChem CID82999560
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(C)CCC(F)(F)F)c(N)c1
InChIInChI=1S/C13H18F3N3O/c1-3-18-12(20)9-4-5-11(10(17)8-9)19(2)7-6-13(14,15)16/h4-5,8H,3,6-7,17H2,1-2H3,(H,18,20)
InChIKeyTZYQQIXWMAQUPX-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422849
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998
ethyl 4-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzoate
CID 82795723
4-amino-3-[2-cyanoethyl(methyl)amino]-N-ethylbenzamide
CID 55190898
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide (CID 82999560) is 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide is CCNC(=O)c1ccc(N(C)CCC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
The InChIKey is TZYQQIXWMAQUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-3-18-12(20)9-4-5-11(10(17)8-9)19(2)7-6-13(14,15)16/h4-5,8H,3,6-7,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide is sourced from PubChem (CID 82999560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).