N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide

C15H23FN2O2 — CID 28995439

IUPACN-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
SMILESCC(C)CCCOCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O2/c1-11(2)4-3-8-20-9-7-15(19)18-12-5-6-13(16)14(17)10-12/h5-6,10-11H,3-4,7-9,17H2,1-2H3,(H,18,19)
InChIKeyWKVPHCJMSHOXKQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.19
Rot. Bonds8

About N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide

N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide (PubChem CID 28995439) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
PubChem CID28995439
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
SMILESCC(C)CCCOCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O2/c1-11(2)4-3-8-20-9-7-15(19)18-12-5-6-13(16)14(17)10-12/h5-6,10-11H,3-4,7-9,17H2,1-2H3,(H,18,19)
InChIKeyWKVPHCJMSHOXKQ-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-amino-4-fluorophenyl)-4-propan-2-ylsulfonylbutanamide
CID 60885575
N-(3-amino-4-fluorophenyl)-4-(3-methylbutan-2-ylsulfanyl)butanamide
CID 107748717
N-(3-amino-4-fluorophenyl)-4-(4-hydroxybutan-2-ylsulfanyl)butanamide
CID 66138076
N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486787
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(3-amino-4-fluorophenyl)-3-propan-2-ylsulfanylpropanamide
CID 60885351

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide (CID 28995439) is N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide is CC(C)CCCOCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide?
The InChIKey is WKVPHCJMSHOXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(2)4-3-8-20-9-7-15(19)18-12-5-6-13(16)14(17)10-12/h5-6,10-11H,3-4,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide?
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide has a molecular weight of 282.36 g/mol, XLogP of 3.19, 8 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-(4-methylpentoxy)propanamide is sourced from PubChem (CID 28995439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).