2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide

C10H14FN3O2 — CID 106234436

IUPAC2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1cccc(F)c1N
InChIInChI=1S/C10H14FN3O2/c11-7-2-1-3-8(10(7)13)14-4-5-16-6-9(12)15/h1-3,14H,4-6,13H2,(H2,12,15)
InChIKeyCQVDZJNKGIPFQM-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.32
Rot. Bonds6

About 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide

2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide (PubChem CID 106234436) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
PubChem CID106234436
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1cccc(F)c1N
InChIInChI=1S/C10H14FN3O2/c11-7-2-1-3-8(10(7)13)14-4-5-16-6-9(12)15/h1-3,14H,4-6,13H2,(H2,12,15)
InChIKeyCQVDZJNKGIPFQM-UHFFFAOYSA-N
XLogP0.32
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.32
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'}

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Related Compounds

2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
CID 106234418
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide
CID 106239402
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
CID 114161852
1-N-(4-decoxybutyl)-3-fluorobenzene-1,2-diamine
CID 150244953
1-N-butyl-3-fluorobenzene-1,2-diamine
CID 60783282
2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
CID 106236951
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293
3-[2-(2-amino-3-fluoroanilino)ethyl]-1,1-dimethylurea
CID 83116888
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114129004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide (CID 106234436) is 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide is NC(=O)COCCNc1cccc(F)c1N.
What is the InChIKey of 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide?
The InChIKey is CQVDZJNKGIPFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-7-2-1-3-8(10(7)13)14-4-5-16-6-9(12)15/h1-3,14H,4-6,13H2,(H2,12,15).
What are the key properties of 2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide?
2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide has a molecular weight of 227.24 g/mol, XLogP of 0.32, 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-3-fluoroanilino)ethoxy]acetamide is sourced from PubChem (CID 106234436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).