[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate

C22H24FNO3 — CID 78536179

IUPAC[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H24FNO3/c23-18-11-13-19(14-12-18)24-22(26)21(17-8-2-1-3-9-17)27-20(25)15-10-16-6-4-5-7-16/h1-3,8-9,11-14,16,21H,4-7,10,15H2,(H,24,26)
InChIKeyIQHNUCOPCCGWGE-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.02
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate (PubChem CID 78536179) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
PubChem CID78536179
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H24FNO3/c23-18-11-13-19(14-12-18)24-22(26)21(17-8-2-1-3-9-17)27-20(25)15-10-16-6-4-5-7-16/h1-3,8-9,11-14,16,21H,4-7,10,15H2,(H,24,26)
InChIKeyIQHNUCOPCCGWGE-UHFFFAOYSA-N
XLogP5.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.02
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] propanoate
CID 42902056
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799598
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 46795202
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 41071746
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46613729
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320929
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55376021
3-[1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100950
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)propanoate
CID 46795944
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659070
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 42971860

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate (CID 78536179) is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate is O=C(CCC1CCCC1)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
The InChIKey is IQHNUCOPCCGWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-18-11-13-19(14-12-18)24-22(26)21(17-8-2-1-3-9-17)27-20(25)15-10-16-6-4-5-7-16/h1-3,8-9,11-14,16,21H,4-7,10,15H2,(H,24,26).
What are the key properties of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate has a molecular weight of 369.44 g/mol, XLogP of 5.02, 7 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] 3-cyclopentylpropanoate is sourced from PubChem (CID 78536179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).