[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate

C17H16FNO3 — CID 42902056

IUPAC[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
SMILESCCC(=O)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H16FNO3/c1-2-15(20)22-16(12-6-4-3-5-7-12)17(21)19-14-10-8-13(18)9-11-14/h3-11,16H,2H2,1H3,(H,19,21)
InChIKeyFOGLLJIMRKBQEP-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.46
Rot. Bonds5

About [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate (PubChem CID 42902056) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
PubChem CID42902056
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
SMILESCCC(=O)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H16FNO3/c1-2-15(20)22-16(12-6-4-3-5-7-12)17(21)19-14-10-8-13(18)9-11-14/h3-11,16H,2H2,1H3,(H,19,21)
InChIKeyFOGLLJIMRKBQEP-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7848093
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
CID 78536179
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609750
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
CID 2646591
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
CID 7796632
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799598
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55376021
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 46795202
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 42971860
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate (CID 42902056) is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate is CCC(=O)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate?
The InChIKey is FOGLLJIMRKBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-2-15(20)22-16(12-6-4-3-5-7-12)17(21)19-14-10-8-13(18)9-11-14/h3-11,16H,2H2,1H3,(H,19,21).
What are the key properties of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate?
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate has a molecular weight of 301.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate is sourced from PubChem (CID 42902056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).