2-[4-amino-3-(trifluoromethyl)anilino]propanamide

C10H12F3N3O — CID 43545460

IUPAC2-[4-amino-3-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(N)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H12F3N3O/c1-5(9(15)17)16-6-2-3-8(14)7(4-6)10(11,12)13/h2-5,16H,14H2,1H3,(H2,15,17)
InChIKeyXUQZNCSMJWLQQA-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.57
Rot. Bonds3

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

2-[4-amino-3-(trifluoromethyl)anilino]propanamide (PubChem CID 43545460) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)anilino]propanamide
PubChem CID43545460
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-[4-amino-3-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(N)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H12F3N3O/c1-5(9(15)17)16-6-2-3-8(14)7(4-6)10(11,12)13/h2-5,16H,14H2,1H3,(H2,15,17)
InChIKeyXUQZNCSMJWLQQA-UHFFFAOYSA-N
XLogP1.57
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.57
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]-N-methylpropanamide
CID 54950316
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
4-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106217097
4-N-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29066986
2-[4-carbamothioyl-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 61467852
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
CID 43125796
(2S)-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanoic acid
CID 122049439
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 54935716

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)anilino]propanamide (CID 43545460) is 2-[4-amino-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)anilino]propanamide is CC(Nc1ccc(N)c(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is XUQZNCSMJWLQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-5(9(15)17)16-6-2-3-8(14)7(4-6)10(11,12)13/h2-5,16H,14H2,1H3,(H2,15,17).
What are the key properties of 2-[4-amino-3-(trifluoromethyl)anilino]propanamide?
2-[4-amino-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 247.22 g/mol, XLogP of 1.57, 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]propanamide is sourced from PubChem (CID 43545460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).