2-amino-3-(2,5-difluoroanilino)propanamide

C9H11F2N3O — CID 103232837

IUPAC2-amino-3-(2,5-difluoroanilino)propanamide
SMILESNC(=O)C(N)CNc1cc(F)ccc1F
InChIInChI=1S/C9H11F2N3O/c10-5-1-2-6(11)8(3-5)14-4-7(12)9(13)15/h1-3,7,14H,4,12H2,(H2,13,15)
InChIKeyLSNQWYLJRZNOCH-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.19
Rot. Bonds4

About 2-amino-3-(2,5-difluoroanilino)propanamide

2-amino-3-(2,5-difluoroanilino)propanamide (PubChem CID 103232837) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-3-(2,5-difluoroanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,5-difluoroanilino)propanamide
PubChem CID103232837
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-amino-3-(2,5-difluoroanilino)propanamide
SMILESNC(=O)C(N)CNc1cc(F)ccc1F
InChIInChI=1S/C9H11F2N3O/c10-5-1-2-6(11)8(3-5)14-4-7(12)9(13)15/h1-3,7,14H,4,12H2,(H2,13,15)
InChIKeyLSNQWYLJRZNOCH-UHFFFAOYSA-N
XLogP0.19
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,5-difluoroanilino)propanoic acid
CID 103232824
2-amino-3-(2,3,4-trifluoroanilino)propanamide
CID 103232798
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
CID 103268919
methyl 2-[(2,5-difluoroanilino)methyl]-3-methylbutanoate
CID 115253297
3-amino-4-(2,4-difluoroanilino)butanoic acid
CID 115241465
2-[(2,5-difluoroanilino)methyl]-3-methylbutan-1-ol
CID 115251833
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
3-(2,5-difluoroanilino)-2-methylpropanenitrile
CID 43367507
2-amino-3-[2-(4-fluoro-2-methylphenyl)ethylamino]propanamide
CID 103257000
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-difluoroanilino)propanamide?
The IUPAC name of 2-amino-3-(2,5-difluoroanilino)propanamide (CID 103232837) is 2-amino-3-(2,5-difluoroanilino)propanamide.
What is the SMILES notation for 2-amino-3-(2,5-difluoroanilino)propanamide?
The canonical SMILES for 2-amino-3-(2,5-difluoroanilino)propanamide is NC(=O)C(N)CNc1cc(F)ccc1F.
What is the InChIKey of 2-amino-3-(2,5-difluoroanilino)propanamide?
The InChIKey is LSNQWYLJRZNOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-5-1-2-6(11)8(3-5)14-4-7(12)9(13)15/h1-3,7,14H,4,12H2,(H2,13,15).
What are the key properties of 2-amino-3-(2,5-difluoroanilino)propanamide?
2-amino-3-(2,5-difluoroanilino)propanamide has a molecular weight of 215.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-difluoroanilino)propanamide is sourced from PubChem (CID 103232837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).