3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide

C16H17FN2O2 — CID 61090958

IUPAC3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
SMILESNc1cccc(OCCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O2/c17-15-7-2-1-4-12(15)11-19-16(20)8-9-21-14-6-3-5-13(18)10-14/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyYXURPKXZEVZXRR-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.49
Rot. Bonds6

About 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide

3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 61090958) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID61090958
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
SMILESNc1cccc(OCCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O2/c17-15-7-2-1-4-12(15)11-19-16(20)8-9-21-14-6-3-5-13(18)10-14/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyYXURPKXZEVZXRR-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide (CID 61090958) is 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide is Nc1cccc(OCCC(=O)NCc2ccccc2F)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is YXURPKXZEVZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-15-7-2-1-4-12(15)11-19-16(20)8-9-21-14-6-3-5-13(18)10-14/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 61090958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).