2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide

C10H13BrFN3O2 — CID 114161852

IUPAC2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H13BrFN3O2/c11-6-3-9(8(13)4-7(6)12)15-1-2-17-5-10(14)16/h3-4,15H,1-2,5,13H2,(H2,14,16)
InChIKeyRJRAHWJJJJBBJU-UHFFFAOYSA-N
MW306.14 g/mol
LogP1.08
Rot. Bonds6

About 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide

2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide (PubChem CID 114161852) has the molecular formula C10H13BrFN3O2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
PubChem CID114161852
Molecular FormulaC10H13BrFN3O2
Molecular Weight306.14 g/mol
Exact Mass305.02
IUPAC Name2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H13BrFN3O2/c11-6-3-9(8(13)4-7(6)12)15-1-2-17-5-10(14)16/h3-4,15H,1-2,5,13H2,(H2,14,16)
InChIKeyRJRAHWJJJJBBJU-UHFFFAOYSA-N
XLogP1.08
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517
ethyl 2-[2-(5-bromo-4-fluoro-2-methylanilino)ethoxy]acetate
CID 107592905
2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
CID 106234436
2-(2-amino-4-bromo-5-fluoroanilino)acetamide
CID 66111662
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol
CID 106119789
2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
CID 106240860
3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
CID 106234375
5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline
CID 106452646
4-bromo-1-N-(3-ethoxypropyl)-5-fluorobenzene-1,2-diamine
CID 66110295
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide (CID 114161852) is 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide is NC(=O)COCCNc1cc(Br)c(F)cc1N.
What is the InChIKey of 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide?
The InChIKey is RJRAHWJJJJBBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3O2/c11-6-3-9(8(13)4-7(6)12)15-1-2-17-5-10(14)16/h3-4,15H,1-2,5,13H2,(H2,14,16).
What are the key properties of 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide?
2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide has a molecular weight of 306.14 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide is sourced from PubChem (CID 114161852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).