N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide

C13H19FN2O2 — CID 54943572

IUPACN-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
SMILESCCC(C)OCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O2/c1-3-9(2)18-7-6-13(17)16-10-4-5-11(14)12(15)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyOYCHJAPUPSBPGY-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.55
Rot. Bonds6

About N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide

N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide (PubChem CID 54943572) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
PubChem CID54943572
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
SMILESCCC(C)OCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O2/c1-3-9(2)18-7-6-13(17)16-10-4-5-11(14)12(15)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyOYCHJAPUPSBPGY-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486787
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(3-amino-4-fluorophenyl)-3-propan-2-ylsulfanylpropanamide
CID 60885351
N-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295364

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide (CID 54943572) is N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide is CCC(C)OCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide?
The InChIKey is OYCHJAPUPSBPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-9(2)18-7-6-13(17)16-10-4-5-11(14)12(15)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide?
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide has a molecular weight of 254.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide is sourced from PubChem (CID 54943572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).