3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide

C16H17FN2O2 — CID 43729736

IUPAC3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-7-5-12(6-8-13)11-19-14-3-1-2-4-15(14)21-10-9-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeyBGGOAEIIKYCKAT-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.69
Rot. Bonds7

About 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide

3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide (PubChem CID 43729736) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
PubChem CID43729736
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-7-5-12(6-8-13)11-19-14-3-1-2-4-15(14)21-10-9-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeyBGGOAEIIKYCKAT-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
CID 75385127
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide
CID 75385361
3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
CID 62743092
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
CID 104879474
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 4789934
3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
CID 115744008
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide (CID 43729736) is 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide is NC(=O)CCOc1ccccc1NCc1ccc(F)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide?
The InChIKey is BGGOAEIIKYCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-7-5-12(6-8-13)11-19-14-3-1-2-4-15(14)21-10-9-16(18)20/h1-8,19H,9-11H2,(H2,18,20).
What are the key properties of 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide?
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide is sourced from PubChem (CID 43729736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).