[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C20H18BrFO3 — CID 23822314

IUPAC[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(Br)c1
InChIInChI=1S/C20H18BrFO3/c21-16-5-3-4-14(12-16)18(23)13-25-19(24)20(10-1-2-11-20)15-6-8-17(22)9-7-15/h3-9,12H,1-2,10-11,13H2
InChIKeyWPQPQHZNUGPTLL-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.83
Rot. Bonds5

About [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 23822314) has the molecular formula C20H18BrFO3 and a molecular weight of 405.26 g/mol. Its IUPAC name is [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID23822314
Molecular FormulaC20H18BrFO3
Molecular Weight405.26 g/mol
Exact Mass404.04
IUPAC Name[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(Br)c1
InChIInChI=1S/C20H18BrFO3/c21-16-5-3-4-14(12-16)18(23)13-25-19(24)20(10-1-2-11-20)15-6-8-17(22)9-7-15/h3-9,12H,1-2,10-11,13H2
InChIKeyWPQPQHZNUGPTLL-UHFFFAOYSA-N
XLogP4.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866218
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 55445266
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8575012
[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 155946371
phenacyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55312475
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2355135

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 23822314) is [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is WPQPQHZNUGPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFO3/c21-16-5-3-4-14(12-16)18(23)13-25-19(24)20(10-1-2-11-20)15-6-8-17(22)9-7-15/h3-9,12H,1-2,10-11,13H2.
What are the key properties of [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 405.26 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 23822314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).