phenyl 2-acetamido-3-(3-fluorophenyl)propanoate

C17H16FNO3 — CID 126842831

IUPACphenyl 2-acetamido-3-(3-fluorophenyl)propanoate
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H16FNO3/c1-12(20)19-16(11-13-6-5-7-14(18)10-13)17(21)22-15-8-3-2-4-9-15/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyAFUSHNFTCDHQGQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.48
Rot. Bonds5

About phenyl 2-acetamido-3-(3-fluorophenyl)propanoate

phenyl 2-acetamido-3-(3-fluorophenyl)propanoate (PubChem CID 126842831) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is phenyl 2-acetamido-3-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Namephenyl 2-acetamido-3-(3-fluorophenyl)propanoate
PubChem CID126842831
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namephenyl 2-acetamido-3-(3-fluorophenyl)propanoate
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H16FNO3/c1-12(20)19-16(11-13-6-5-7-14(18)10-13)17(21)22-15-8-3-2-4-9-15/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyAFUSHNFTCDHQGQ-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-acetamido-3-(3-fluorophenyl)propanoate?
The IUPAC name of phenyl 2-acetamido-3-(3-fluorophenyl)propanoate (CID 126842831) is phenyl 2-acetamido-3-(3-fluorophenyl)propanoate.
What is the SMILES notation for phenyl 2-acetamido-3-(3-fluorophenyl)propanoate?
The canonical SMILES for phenyl 2-acetamido-3-(3-fluorophenyl)propanoate is CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-acetamido-3-(3-fluorophenyl)propanoate?
The InChIKey is AFUSHNFTCDHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12(20)19-16(11-13-6-5-7-14(18)10-13)17(21)22-15-8-3-2-4-9-15/h2-10,16H,11H2,1H3,(H,19,20).
What are the key properties of phenyl 2-acetamido-3-(3-fluorophenyl)propanoate?
phenyl 2-acetamido-3-(3-fluorophenyl)propanoate has a molecular weight of 301.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-acetamido-3-(3-fluorophenyl)propanoate is sourced from PubChem (CID 126842831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).