2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide

C15H24FN3O2 — CID 63592607

IUPAC2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H24FN3O2/c1-4-5-6-19(9-15(18)20)13-8-14(21-10(2)3)11(16)7-12(13)17/h7-8,10H,4-6,9,17H2,1-3H3,(H2,18,20)
InChIKeyTVAPSKCNYFDLST-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.29
Rot. Bonds8

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

2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide (PubChem CID 63592607) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
PubChem CID63592607
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H24FN3O2/c1-4-5-6-19(9-15(18)20)13-8-14(21-10(2)3)11(16)7-12(13)17/h7-8,10H,4-6,9,17H2,1-3H3,(H2,18,20)
InChIKeyTVAPSKCNYFDLST-UHFFFAOYSA-N
XLogP2.29
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.29
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-methoxyanilino)acetamide
CID 55216070
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-propan-2-yloxyanilino)acetamide
CID 63592937
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250
1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63954095
3-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)-N-methylpropanamide
CID 106914131
2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
CID 63592936
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
2-(4,6-diamino-N-butyl-3-chloro-2-fluoroanilino)acetamide
CID 103552916

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide?
The IUPAC name of 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide (CID 63592607) is 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide?
The canonical SMILES for 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide is CCCCN(CC(N)=O)c1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide?
The InChIKey is TVAPSKCNYFDLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-4-5-6-19(9-15(18)20)13-8-14(21-10(2)3)11(16)7-12(13)17/h7-8,10H,4-6,9,17H2,1-3H3,(H2,18,20).
What are the key properties of 2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide?
2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide has a molecular weight of 297.37 g/mol, XLogP of 2.29, 8 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-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 63592607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).