(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate

C17H16FNO4 — CID 47024197

IUPAC(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate
SMILESCC(=O)Nc1ccc(OC(=O)C(C)Oc2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO4/c1-11(22-16-5-3-4-13(18)10-16)17(21)23-15-8-6-14(7-9-15)19-12(2)20/h3-11H,1-2H3,(H,19,20)
InChIKeyIZXAOPOCEOMOSG-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.16
Rot. Bonds5

About (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate

(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate (PubChem CID 47024197) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate
PubChem CID47024197
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate
SMILESCC(=O)Nc1ccc(OC(=O)C(C)Oc2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO4/c1-11(22-16-5-3-4-13(18)10-16)17(21)23-15-8-6-14(7-9-15)19-12(2)20/h3-11H,1-2H3,(H,19,20)
InChIKeyIZXAOPOCEOMOSG-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
CID 8915502
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
2-(3-fluorophenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
CID 43991214
N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 16784463
(4-fluorophenyl) (2S)-2-(3,4-dimethylphenoxy)propanoate
CID 891244
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
CID 53267249

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate?
The IUPAC name of (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate (CID 47024197) is (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate.
What is the SMILES notation for (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate?
The canonical SMILES for (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate is CC(=O)Nc1ccc(OC(=O)C(C)Oc2cccc(F)c2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate?
The InChIKey is IZXAOPOCEOMOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-11(22-16-5-3-4-13(18)10-16)17(21)23-15-8-6-14(7-9-15)19-12(2)20/h3-11H,1-2H3,(H,19,20).
What are the key properties of (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate?
(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate has a molecular weight of 317.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate is sourced from PubChem (CID 47024197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).