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

C10H12F3N3O — CID 43553390

IUPAC3-[2-amino-4-(trifluoromethyl)anilino]propanamide
SMILESNC(=O)CCNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-1-2-8(7(14)5-6)16-4-3-9(15)17/h1-2,5,16H,3-4,14H2,(H2,15,17)
InChIKeyJSJMBFULVBYUOT-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.57
Rot. Bonds4

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

3-[2-amino-4-(trifluoromethyl)anilino]propanamide (PubChem CID 43553390) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[2-amino-4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound Name3-[2-amino-4-(trifluoromethyl)anilino]propanamide
PubChem CID43553390
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-[2-amino-4-(trifluoromethyl)anilino]propanamide
SMILESNC(=O)CCNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-1-2-8(7(14)5-6)16-4-3-9(15)17/h1-2,5,16H,3-4,14H2,(H2,15,17)
InChIKeyJSJMBFULVBYUOT-UHFFFAOYSA-N
XLogP1.57
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
CID 106234030
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
CID 106238921
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
3-amino-4-[(4-amino-4-oxobutyl)amino]benzoic acid
CID 54888280
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide
CID 89411564
3-[2-amino-4-(trifluoromethyl)anilino]-2-methylpropane-1,2-diol
CID 66169467
N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide
CID 89411525
4-(trifluoromethyl)-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142987

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of 3-[2-amino-4-(trifluoromethyl)anilino]propanamide (CID 43553390) is 3-[2-amino-4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for 3-[2-amino-4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for 3-[2-amino-4-(trifluoromethyl)anilino]propanamide is NC(=O)CCNc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 3-[2-amino-4-(trifluoromethyl)anilino]propanamide?
The InChIKey is JSJMBFULVBYUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)6-1-2-8(7(14)5-6)16-4-3-9(15)17/h1-2,5,16H,3-4,14H2,(H2,15,17).
What are the key properties of 3-[2-amino-4-(trifluoromethyl)anilino]propanamide?
3-[2-amino-4-(trifluoromethyl)anilino]propanamide has a molecular weight of 247.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 43553390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).