N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide

C15H15FN2O2 — CID 16792632

IUPACN-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
SMILESNc1cccc(NC(=O)CCOc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O2/c16-11-3-1-6-14(9-11)20-8-7-15(19)18-13-5-2-4-12(17)10-13/h1-6,9-10H,7-8,17H2,(H,18,19)
InChIKeyIEMSTCABNVOIRK-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.82
Rot. Bonds5

About N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide

N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide (PubChem CID 16792632) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
PubChem CID16792632
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
SMILESNc1cccc(NC(=O)CCOc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O2/c16-11-3-1-6-14(9-11)20-8-7-15(19)18-13-5-2-4-12(17)10-13/h1-6,9-10H,7-8,17H2,(H,18,19)
InChIKeyIEMSTCABNVOIRK-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.82
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

3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
3-(3-fluorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794121
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
CID 66351848
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid
CID 63930757
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295
3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
CID 107584422
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide (CID 16792632) is N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide is Nc1cccc(NC(=O)CCOc2cccc(F)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide?
The InChIKey is IEMSTCABNVOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-3-1-6-14(9-11)20-8-7-15(19)18-13-5-2-4-12(17)10-13/h1-6,9-10H,7-8,17H2,(H,18,19).
What are the key properties of N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide?
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide has a molecular weight of 274.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 16792632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).