3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide

C9H11BrFN3O2 — CID 106166702

IUPAC3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(F)c(Br)cc1N
InChIInChI=1S/C9H11BrFN3O2/c10-4-1-6(12)7(2-5(4)11)14-3-8(15)9(13)16/h1-2,8,14-15H,3,12H2,(H2,13,16)
InChIKeyXYTKSYBPKHEQQE-UHFFFAOYSA-N
MW292.11 g/mol
LogP0.43
Rot. Bonds4

About 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide

3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide (PubChem CID 106166702) has the molecular formula C9H11BrFN3O2 and a molecular weight of 292.11 g/mol. Its IUPAC name is 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
PubChem CID106166702
Molecular FormulaC9H11BrFN3O2
Molecular Weight292.11 g/mol
Exact Mass291.00
IUPAC Name3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(F)c(Br)cc1N
InChIInChI=1S/C9H11BrFN3O2/c10-4-1-6(12)7(2-5(4)11)14-3-8(15)9(13)16/h1-2,8,14-15H,3,12H2,(H2,13,16)
InChIKeyXYTKSYBPKHEQQE-UHFFFAOYSA-N
XLogP0.43
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
CID 106166630
2-(2-amino-4-bromo-5-fluoroanilino)acetamide
CID 66111662
3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
CID 106166701
5-(2-amino-4-bromo-5-fluoroanilino)pentan-2-ol
CID 106119811
2-(2-amino-4-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113405855
2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
CID 103268919
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
CID 106166600
2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol
CID 66169266
1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
CID 116735989
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide (CID 106166702) is 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide is NC(=O)C(O)CNc1cc(F)c(Br)cc1N.
What is the InChIKey of 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide?
The InChIKey is XYTKSYBPKHEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3O2/c10-4-1-6(12)7(2-5(4)11)14-3-8(15)9(13)16/h1-2,8,14-15H,3,12H2,(H2,13,16).
What are the key properties of 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide?
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide has a molecular weight of 292.11 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106166702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).