N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide

C13H18F3N3O2 — CID 60960611

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1N)N(C)CCO
InChIInChI=1S/C13H18F3N3O2/c1-8(19(2)5-6-20)12(21)18-11-4-3-9(7-10(11)17)13(14,15)16/h3-4,7-8,20H,5-6,17H2,1-2H3,(H,18,21)
InChIKeyZFYLUZKSWBAHSW-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.54
Rot. Bonds5

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide (PubChem CID 60960611) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
PubChem CID60960611
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1N)N(C)CCO
InChIInChI=1S/C13H18F3N3O2/c1-8(19(2)5-6-20)12(21)18-11-4-3-9(7-10(11)17)13(14,15)16/h3-4,7-8,20H,5-6,17H2,1-2H3,(H,18,21)
InChIKeyZFYLUZKSWBAHSW-UHFFFAOYSA-N
XLogP1.54
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
CID 43098659
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methylsulfinylpropanamide
CID 61288881
N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
CID 43188508
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270870
N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914617
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide (CID 60960611) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide is CC(C(=O)Nc1ccc(C(F)(F)F)cc1N)N(C)CCO.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide?
The InChIKey is ZFYLUZKSWBAHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(19(2)5-6-20)12(21)18-11-4-3-9(7-10(11)17)13(14,15)16/h3-4,7-8,20H,5-6,17H2,1-2H3,(H,18,21).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide has a molecular weight of 305.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 60960611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).