N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C12H15F4N3O — CID 60890403

IUPACN-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(F)cc1N)CC(F)(F)F
InChIInChI=1S/C12H15F4N3O/c1-19(7-12(14,15)16)5-4-11(20)18-10-3-2-8(13)6-9(10)17/h2-3,6H,4-5,7,17H2,1H3,(H,18,20)
InChIKeyNVMYZRKEEALDGI-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.23
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide

N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 60890403) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID60890403
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC NameN-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(F)cc1N)CC(F)(F)F
InChIInChI=1S/C12H15F4N3O/c1-19(7-12(14,15)16)5-4-11(20)18-10-3-2-8(13)6-9(10)17/h2-3,6H,4-5,7,17H2,1H3,(H,18,20)
InChIKeyNVMYZRKEEALDGI-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide 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

N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890401
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 60890403) is N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide is CN(CCC(=O)Nc1ccc(F)cc1N)CC(F)(F)F.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is NVMYZRKEEALDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c1-19(7-12(14,15)16)5-4-11(20)18-10-3-2-8(13)6-9(10)17/h2-3,6H,4-5,7,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 293.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 60890403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).