2-amino-3-(2,3,4-trifluoroanilino)propanamide

C9H10F3N3O — CID 103232798

IUPAC2-amino-3-(2,3,4-trifluoroanilino)propanamide
SMILESNC(=O)C(N)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3N3O/c10-4-1-2-6(8(12)7(4)11)15-3-5(13)9(14)16/h1-2,5,15H,3,13H2,(H2,14,16)
InChIKeyQARWVKCCOBDAFX-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.33
Rot. Bonds4

About 2-amino-3-(2,3,4-trifluoroanilino)propanamide

2-amino-3-(2,3,4-trifluoroanilino)propanamide (PubChem CID 103232798) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-amino-3-(2,3,4-trifluoroanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,3,4-trifluoroanilino)propanamide
PubChem CID103232798
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-amino-3-(2,3,4-trifluoroanilino)propanamide
SMILESNC(=O)C(N)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3N3O/c10-4-1-2-6(8(12)7(4)11)15-3-5(13)9(14)16/h1-2,5,15H,3,13H2,(H2,14,16)
InChIKeyQARWVKCCOBDAFX-UHFFFAOYSA-N
XLogP0.33
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2,3,4-trifluoroanilino)propanamide
CID 43312047
2-amino-3-(2,5-difluoroanilino)propanamide
CID 103232837
2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
CID 103268919
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide
CID 107791301
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
2-amino-3-(2,5-difluoroanilino)propanoic acid
CID 103232824
3-amino-4-(2,4-difluoroanilino)butanoic acid
CID 115241465
2-amino-3-(2-propylanilino)propanamide
CID 103246191
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2-amino-3-(4-iodoanilino)propanamide
CID 103236780
[(2S)-1-amino-1-oxopropan-2-yl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197525

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3,4-trifluoroanilino)propanamide?
The IUPAC name of 2-amino-3-(2,3,4-trifluoroanilino)propanamide (CID 103232798) is 2-amino-3-(2,3,4-trifluoroanilino)propanamide.
What is the SMILES notation for 2-amino-3-(2,3,4-trifluoroanilino)propanamide?
The canonical SMILES for 2-amino-3-(2,3,4-trifluoroanilino)propanamide is NC(=O)C(N)CNc1ccc(F)c(F)c1F.
What is the InChIKey of 2-amino-3-(2,3,4-trifluoroanilino)propanamide?
The InChIKey is QARWVKCCOBDAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-4-1-2-6(8(12)7(4)11)15-3-5(13)9(14)16/h1-2,5,15H,3,13H2,(H2,14,16).
What are the key properties of 2-amino-3-(2,3,4-trifluoroanilino)propanamide?
2-amino-3-(2,3,4-trifluoroanilino)propanamide has a molecular weight of 233.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3,4-trifluoroanilino)propanamide is sourced from PubChem (CID 103232798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).