3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione

C16H11ClFNO3 — CID 67528309

IUPAC3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H11ClFNO3/c17-14-7-11(10-3-5-13(18)6-4-10)1-2-12(14)8-19-15(20)9-22-16(19)21/h1-7H,8-9H2
InChIKeyKIRBJGMJTOJTPV-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.62
Rot. Bonds3

About 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione

3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 67528309) has the molecular formula C16H11ClFNO3 and a molecular weight of 319.72 g/mol. Its IUPAC name is 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID67528309
Molecular FormulaC16H11ClFNO3
Molecular Weight319.72 g/mol
Exact Mass319.04
IUPAC Name3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H11ClFNO3/c17-14-7-11(10-3-5-13(18)6-4-10)1-2-12(14)8-19-15(20)9-22-16(19)21/h1-7H,8-9H2
InChIKeyKIRBJGMJTOJTPV-UHFFFAOYSA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione (CID 67528309) is 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KIRBJGMJTOJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO3/c17-14-7-11(10-3-5-13(18)6-4-10)1-2-12(14)8-19-15(20)9-22-16(19)21/h1-7H,8-9H2.
What are the key properties of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 319.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 67528309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).