(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C26H23FO3 — CID 23769015

IUPAC(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(c1ccccc1)C(OC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1
InChIInChI=1S/C26H23FO3/c27-22-15-13-21(14-16-22)26(17-7-8-18-26)25(29)30-24(20-11-5-2-6-12-20)23(28)19-9-3-1-4-10-19/h1-6,9-16,24H,7-8,17-18H2
InChIKeyCPEJRCNLDDHLDH-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.80
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate

(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 23769015) has the molecular formula C26H23FO3 and a molecular weight of 402.47 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID23769015
Molecular FormulaC26H23FO3
Molecular Weight402.47 g/mol
Exact Mass402.16
IUPAC Name(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(c1ccccc1)C(OC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1
InChIInChI=1S/C26H23FO3/c27-22-15-13-21(14-16-22)26(17-7-8-18-26)25(29)30-24(20-11-5-2-6-12-20)23(28)19-9-3-1-4-10-19/h1-6,9-16,24H,7-8,17-18H2
InChIKeyCPEJRCNLDDHLDH-UHFFFAOYSA-N
XLogP5.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2478158
[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 25398453
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
[(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2386563
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
2-[1-[1-amino-2-oxo-2-(2-oxo-1,2-diphenylethoxy)ethyl]cyclohexyl]acetic acid
CID 90807412
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 135583456
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574634
1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 6931371
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574581
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 23769015) is (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(c1ccccc1)C(OC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is CPEJRCNLDDHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FO3/c27-22-15-13-21(14-16-22)26(17-7-8-18-26)25(29)30-24(20-11-5-2-6-12-20)23(28)19-9-3-1-4-10-19/h1-6,9-16,24H,7-8,17-18H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 402.47 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 23769015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).