2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide

C12H18FN3O — CID 55002568

IUPAC2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H18FN3O/c1-8(2)6-16(7-12(15)17)11-4-9(13)3-10(14)5-11/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyFWLKRJJROIIADD-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.36
Rot. Bonds5

About 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide

2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide (PubChem CID 55002568) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
PubChem CID55002568
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H18FN3O/c1-8(2)6-16(7-12(15)17)11-4-9(13)3-10(14)5-11/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyFWLKRJJROIIADD-UHFFFAOYSA-N
XLogP1.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide (CID 55002568) is 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide is CC(C)CN(CC(N)=O)c1cc(N)cc(F)c1.
What is the InChIKey of 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide?
The InChIKey is FWLKRJJROIIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(2)6-16(7-12(15)17)11-4-9(13)3-10(14)5-11/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide?
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide has a molecular weight of 239.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 55002568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).