3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide

C15H12FNO3 — CID 166949255

IUPAC3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide
SMILESNC(=O)CC(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO3/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14(18)9-15(17)19/h1-8H,9H2,(H2,17,19)
InChIKeyMEYGUXNJDVUEMM-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.68
Rot. Bonds5

About 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide

3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide (PubChem CID 166949255) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide
PubChem CID166949255
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide
SMILESNC(=O)CC(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO3/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14(18)9-15(17)19/h1-8H,9H2,(H2,17,19)
InChIKeyMEYGUXNJDVUEMM-UHFFFAOYSA-N
XLogP2.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenoxy)benzamide
CID 22142233
4-(4-fluorophenoxy)benzoate
CID 7009390
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
4-fluorobenzohydrazide
CID 9972
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
4-fluoro-1-(4-fluorophenyl)butane-1,3-dione
CID 15552603
4-(4-carbamoylphenoxy)benzamide
CID 156597124
(2-amino-2-oxoethyl) 4-[4-(2-amino-2-oxoethoxy)carbonylphenoxy]benzoate
CID 3923903
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 25440540
2-amino-5-[4-(4-fluorophenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
CID 141029459
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide (CID 166949255) is 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide is NC(=O)CC(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide?
The InChIKey is MEYGUXNJDVUEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14(18)9-15(17)19/h1-8H,9H2,(H2,17,19).
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide?
3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide has a molecular weight of 273.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide is sourced from PubChem (CID 166949255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).