2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide

C13H19F3N4O — CID 139713785

IUPAC2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
SMILESCN(C)CCN(C)c1cccc(C(=O)NC(F)(F)F)c1N
InChIInChI=1S/C13H19F3N4O/c1-19(2)7-8-20(3)10-6-4-5-9(11(10)17)12(21)18-13(14,15)16/h4-6H,7-8,17H2,1-3H3,(H,18,21)
InChIKeyGBDKEYWWMIWJFH-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.52
Rot. Bonds5

About 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide

2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide (PubChem CID 139713785) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
PubChem CID139713785
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
SMILESCN(C)CCN(C)c1cccc(C(=O)NC(F)(F)F)c1N
InChIInChI=1S/C13H19F3N4O/c1-19(2)7-8-20(3)10-6-4-5-9(11(10)17)12(21)18-13(14,15)16/h4-6H,7-8,17H2,1-3H3,(H,18,21)
InChIKeyGBDKEYWWMIWJFH-UHFFFAOYSA-N
XLogP1.52
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide (CID 139713785) is 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide is CN(C)CCN(C)c1cccc(C(=O)NC(F)(F)F)c1N.
What is the InChIKey of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
The InChIKey is GBDKEYWWMIWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-19(2)7-8-20(3)10-6-4-5-9(11(10)17)12(21)18-13(14,15)16/h4-6H,7-8,17H2,1-3H3,(H,18,21).
What are the key properties of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide has a molecular weight of 304.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide is sourced from PubChem (CID 139713785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).