2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide

C12H17FIN3O — CID 66100295

IUPAC2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H17FIN3O/c1-3-4-17(7-12(18)16-2)11-5-8(13)9(14)6-10(11)15/h5-6H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyWGFFTUQATOCJLP-UHFFFAOYSA-N
MW365.19 g/mol
LogP1.97
Rot. Bonds5

About 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide

2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide (PubChem CID 66100295) has the molecular formula C12H17FIN3O and a molecular weight of 365.19 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide
PubChem CID66100295
Molecular FormulaC12H17FIN3O
Molecular Weight365.19 g/mol
Exact Mass365.04
IUPAC Name2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H17FIN3O/c1-3-4-17(7-12(18)16-2)11-5-8(13)9(14)6-10(11)15/h5-6H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyWGFFTUQATOCJLP-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide (CID 66100295) is 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide is CCCN(CC(=O)NC)c1cc(F)c(I)cc1N.
What is the InChIKey of 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide?
The InChIKey is WGFFTUQATOCJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FIN3O/c1-3-4-17(7-12(18)16-2)11-5-8(13)9(14)6-10(11)15/h5-6H,3-4,7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide?
2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide has a molecular weight of 365.19 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide is sourced from PubChem (CID 66100295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).