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

C11H14F3N3O — CID 54950316

IUPAC2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O/c1-6(10(18)16-2)17-7-3-4-9(15)8(5-7)11(12,13)14/h3-6,17H,15H2,1-2H3,(H,16,18)
InChIKeyYYTLMZUVBUOOGD-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.83
Rot. Bonds3

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

2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide (PubChem CID 54950316) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
PubChem CID54950316
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O/c1-6(10(18)16-2)17-7-3-4-9(15)8(5-7)11(12,13)14/h3-6,17H,15H2,1-2H3,(H,16,18)
InChIKeyYYTLMZUVBUOOGD-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 114270139
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
CID 43125796
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617506
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide (CID 54950316) is 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide is CNC(=O)C(C)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide?
The InChIKey is YYTLMZUVBUOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(10(18)16-2)17-7-3-4-9(15)8(5-7)11(12,13)14/h3-6,17H,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide?
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide has a molecular weight of 261.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide is sourced from PubChem (CID 54950316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).