5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride

C11H9Cl2FN2O3 — CID 177337074

IUPAC5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C(c2c(F)c(Cl)cc3c2NCC3)O1
InChIInChI=1S/C11H8ClFN2O3.ClH/c12-5-3-4-1-2-14-8(4)6(7(5)13)9-10(16)15-11(17)18-9;/h3,9,14H,1-2H2,(H,15,16,17);1H
InChIKeyREWZIVYLHXFVSX-UHFFFAOYSA-N
MW307.11 g/mol
LogP2.18
Rot. Bonds1

About 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride

5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride (PubChem CID 177337074) has the molecular formula C11H9Cl2FN2O3 and a molecular weight of 307.11 g/mol. Its IUPAC name is 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride
PubChem CID177337074
Molecular FormulaC11H9Cl2FN2O3
Molecular Weight307.11 g/mol
Exact Mass306.00
IUPAC Name5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C(c2c(F)c(Cl)cc3c2NCC3)O1
InChIInChI=1S/C11H8ClFN2O3.ClH/c12-5-3-4-1-2-14-8(4)6(7(5)13)9-10(16)15-11(17)18-9;/h3,9,14H,1-2H2,(H,15,16,17);1H
InChIKeyREWZIVYLHXFVSX-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride (CID 177337074) is 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride is Cl.O=C1NC(=O)C(c2c(F)c(Cl)cc3c2NCC3)O1.
What is the InChIKey of 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The InChIKey is REWZIVYLHXFVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3.ClH/c12-5-3-4-1-2-14-8(4)6(7(5)13)9-10(16)15-11(17)18-9;/h3,9,14H,1-2H2,(H,15,16,17);1H.
What are the key properties of 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride?
5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride has a molecular weight of 307.11 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-fluoro-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 177337074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).