N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide

C11H13F3N2O — CID 16776651

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c1-6(2)10(17)16-7-3-4-9(15)8(5-7)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeySAKLWQRDMOSOGQ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.88
Rot. Bonds2

About N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide

N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 16776651) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID16776651
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c1-6(2)10(17)16-7-3-4-9(15)8(5-7)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeySAKLWQRDMOSOGQ-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
CID 43125796
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617506
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
N-[4-amino-3-(trifluoromethyl)phenyl]-2-butylsulfanylpropanamide
CID 43615777
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
3-[4-amino-3-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79154112
N-[4-amino-3-(trifluoromethyl)phenyl]-4-propan-2-ylsulfanylbutanamide
CID 60887024
1-[4-amino-3-(trifluoromethyl)anilino]ethenol
CID 143635678
N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide
CID 143186185
N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161006

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 16776651) is N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is SAKLWQRDMOSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-6(2)10(17)16-7-3-4-9(15)8(5-7)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 246.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 16776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).