2-(2-amino-4-bromo-5-fluoroanilino)acetamide

C8H9BrFN3O — CID 66111662

IUPAC2-(2-amino-4-bromo-5-fluoroanilino)acetamide
SMILESNC(=O)CNc1cc(F)c(Br)cc1N
InChIInChI=1S/C8H9BrFN3O/c9-4-1-6(11)7(2-5(4)10)13-3-8(12)14/h1-2,13H,3,11H2,(H2,12,14)
InChIKeyQMIWYNKFAAUHRC-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.07
Rot. Bonds3

About 2-(2-amino-4-bromo-5-fluoroanilino)acetamide

2-(2-amino-4-bromo-5-fluoroanilino)acetamide (PubChem CID 66111662) has the molecular formula C8H9BrFN3O and a molecular weight of 262.08 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-5-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-5-fluoroanilino)acetamide
PubChem CID66111662
Molecular FormulaC8H9BrFN3O
Molecular Weight262.08 g/mol
Exact Mass260.99
IUPAC Name2-(2-amino-4-bromo-5-fluoroanilino)acetamide
SMILESNC(=O)CNc1cc(F)c(Br)cc1N
InChIInChI=1S/C8H9BrFN3O/c9-4-1-6(11)7(2-5(4)10)13-3-8(12)14/h1-2,13H,3,11H2,(H2,12,14)
InChIKeyQMIWYNKFAAUHRC-UHFFFAOYSA-N
XLogP1.07
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.07
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

3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
2-(2-amino-4-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113405855
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
5-(2-amino-4-bromo-5-fluoroanilino)pentan-2-ol
CID 106119811
2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
CID 114161852
3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol
CID 66169266
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517
2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
CID 106334547
4-bromo-1-N-[2-(diethylamino)ethyl]-5-fluorobenzene-1,2-diamine
CID 66111855
4-bromo-5-fluoro-1-N-[2-(4-fluorophenyl)ethyl]benzene-1,2-diamine
CID 66112244

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-5-fluoroanilino)acetamide?
The IUPAC name of 2-(2-amino-4-bromo-5-fluoroanilino)acetamide (CID 66111662) is 2-(2-amino-4-bromo-5-fluoroanilino)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromo-5-fluoroanilino)acetamide?
The canonical SMILES for 2-(2-amino-4-bromo-5-fluoroanilino)acetamide is NC(=O)CNc1cc(F)c(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-5-fluoroanilino)acetamide?
The InChIKey is QMIWYNKFAAUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN3O/c9-4-1-6(11)7(2-5(4)10)13-3-8(12)14/h1-2,13H,3,11H2,(H2,12,14).
What are the key properties of 2-(2-amino-4-bromo-5-fluoroanilino)acetamide?
2-(2-amino-4-bromo-5-fluoroanilino)acetamide has a molecular weight of 262.08 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-5-fluoroanilino)acetamide is sourced from PubChem (CID 66111662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).