2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide

C13H20FN3O2 — CID 55216070

IUPAC2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(OC)c(F)cc1N
InChIInChI=1S/C13H20FN3O2/c1-3-4-5-17(8-13(16)18)11-7-12(19-2)9(14)6-10(11)15/h6-7H,3-5,8,15H2,1-2H3,(H2,16,18)
InChIKeyUFQUDNIHHZXWMF-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.51
Rot. Bonds7

About 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide

2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide (PubChem CID 55216070) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
PubChem CID55216070
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(OC)c(F)cc1N
InChIInChI=1S/C13H20FN3O2/c1-3-4-5-17(8-13(16)18)11-7-12(19-2)9(14)6-10(11)15/h6-7H,3-5,8,15H2,1-2H3,(H2,16,18)
InChIKeyUFQUDNIHHZXWMF-UHFFFAOYSA-N
XLogP1.51
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
CID 63592607
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 63597825
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592910
2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
CID 63592936
2-(4,6-diamino-N-butyl-3-chloro-2-fluoroanilino)acetamide
CID 103552916
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
1-N-[3-(dimethylamino)propyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63695499
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide?
The IUPAC name of 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide (CID 55216070) is 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide.
What is the SMILES notation for 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide?
The canonical SMILES for 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide is CCCCN(CC(N)=O)c1cc(OC)c(F)cc1N.
What is the InChIKey of 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide?
The InChIKey is UFQUDNIHHZXWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-3-4-5-17(8-13(16)18)11-7-12(19-2)9(14)6-10(11)15/h6-7H,3-5,8,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide?
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide has a molecular weight of 269.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide is sourced from PubChem (CID 55216070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).