(1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate

C17H11ClFNO4 — CID 4882141

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(Cc1c(F)cccc1Cl)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClFNO4/c18-13-6-3-7-14(19)12(13)8-15(21)24-9-20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2
InChIKeyPYEZRIUWTPSPKR-UHFFFAOYSA-N
MW347.73 g/mol
LogP2.82
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate

(1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 4882141) has the molecular formula C17H11ClFNO4 and a molecular weight of 347.73 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID4882141
Molecular FormulaC17H11ClFNO4
Molecular Weight347.73 g/mol
Exact Mass347.04
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(Cc1c(F)cccc1Cl)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClFNO4/c18-13-6-3-7-14(19)12(13)8-15(21)24-9-20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2
InChIKeyPYEZRIUWTPSPKR-UHFFFAOYSA-N
XLogP2.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate (CID 4882141) is (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate is O=C(Cc1c(F)cccc1Cl)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is PYEZRIUWTPSPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO4/c18-13-6-3-7-14(19)12(13)8-15(21)24-9-20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 347.73 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 4882141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).