3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

C17H17ClFNO4 — CID 100987985

IUPAC3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2ccc(Cl)c(OC3CCCC3)c2F)C1=O
InChIInChI=1S/C17H17ClFNO4/c1-9(2)14-16(21)20(17(22)24-14)12-8-7-11(18)15(13(12)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyYYQLTZCWIHBCFL-UHFFFAOYSA-N
MW353.78 g/mol
LogP4.58
Rot. Bonds3

About 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (PubChem CID 100987985) has the molecular formula C17H17ClFNO4 and a molecular weight of 353.78 g/mol. Its IUPAC name is 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
PubChem CID100987985
Molecular FormulaC17H17ClFNO4
Molecular Weight353.78 g/mol
Exact Mass353.08
IUPAC Name3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2ccc(Cl)c(OC3CCCC3)c2F)C1=O
InChIInChI=1S/C17H17ClFNO4/c1-9(2)14-16(21)20(17(22)24-14)12-8-7-11(18)15(13(12)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyYYQLTZCWIHBCFL-UHFFFAOYSA-N
XLogP4.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (CID 100987985) is 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is CC(C)=C1OC(=O)N(c2ccc(Cl)c(OC3CCCC3)c2F)C1=O.
What is the InChIKey of 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The InChIKey is YYQLTZCWIHBCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4/c1-9(2)14-16(21)20(17(22)24-14)12-8-7-11(18)15(13(12)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione has a molecular weight of 353.78 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100987985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).