2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide

C12H10ClFN2O4 — CID 119105390

IUPAC2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1C(=O)COC1=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H10ClFN2O4/c13-9-5-7(14)1-2-8(9)11(18)15-3-4-16-10(17)6-20-12(16)19/h1-2,5H,3-4,6H2,(H,15,18)
InChIKeyORYIUIPFRCGOOP-UHFFFAOYSA-N
MW300.67 g/mol
LogP1.19
Rot. Bonds4

About 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide

2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide (PubChem CID 119105390) has the molecular formula C12H10ClFN2O4 and a molecular weight of 300.67 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide
PubChem CID119105390
Molecular FormulaC12H10ClFN2O4
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1C(=O)COC1=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H10ClFN2O4/c13-9-5-7(14)1-2-8(9)11(18)15-3-4-16-10(17)6-20-12(16)19/h1-2,5H,3-4,6H2,(H,15,18)
InChIKeyORYIUIPFRCGOOP-UHFFFAOYSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide (CID 119105390) is 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide is O=C(NCCN1C(=O)COC1=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide?
The InChIKey is ORYIUIPFRCGOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O4/c13-9-5-7(14)1-2-8(9)11(18)15-3-4-16-10(17)6-20-12(16)19/h1-2,5H,3-4,6H2,(H,15,18).
What are the key properties of 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide?
2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide has a molecular weight of 300.67 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 119105390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).