4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide

C13H16F3N3O2 — CID 60946492

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16F3N3O2/c1-18(2)11(20)7-19(8-13(14,15)16)12(21)9-3-5-10(17)6-4-9/h3-6H,7-8,17H2,1-2H3
InChIKeyAAAKTTFDAUYLMN-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60946492) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60946492
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16F3N3O2/c1-18(2)11(20)7-19(8-13(14,15)16)12(21)9-3-5-10(17)6-4-9/h3-6H,7-8,17H2,1-2H3
InChIKeyAAAKTTFDAUYLMN-UHFFFAOYSA-N
XLogP1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
N-[2-(dimethylamino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 78882701
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 87025428
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 65354021
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65359633
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 87025437
6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889772
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79815221
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61266021
N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 87025474

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 60946492) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AAAKTTFDAUYLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-18(2)11(20)7-19(8-13(14,15)16)12(21)9-3-5-10(17)6-4-9/h3-6H,7-8,17H2,1-2H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 303.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60946492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).