5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

C13H18F3N3O2 — CID 61115579

IUPAC5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-18(2)11-4-3-9(17)7-10(11)12(21)19(5-6-20)8-13(14,15)16/h3-4,7,20H,5-6,8,17H2,1-2H3
InChIKeyQOEJVQXIUFLZEM-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.33
Rot. Bonds5

About 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61115579) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61115579
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-18(2)11-4-3-9(17)7-10(11)12(21)19(5-6-20)8-13(14,15)16/h3-4,7,20H,5-6,8,17H2,1-2H3
InChIKeyQOEJVQXIUFLZEM-UHFFFAOYSA-N
XLogP1.33
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 61115579) is 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is CN(C)c1ccc(N)cc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QOEJVQXIUFLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-18(2)11-4-3-9(17)7-10(11)12(21)19(5-6-20)8-13(14,15)16/h3-4,7,20H,5-6,8,17H2,1-2H3.
What are the key properties of 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 305.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61115579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).