(3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate

C17H10Cl2FNO4 — CID 1263892

IUPAC(3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1cccc(F)c1
InChIInChI=1S/C17H10Cl2FNO4/c18-13-5-11-12(6-14(13)19)17(24)21(16(11)23)7-15(22)25-8-9-2-1-3-10(20)4-9/h1-6H,7-8H2
InChIKeyIAHLDGAEENVTIB-UHFFFAOYSA-N
MW382.17 g/mol
LogP3.47
Rot. Bonds4

About (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate

(3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate (PubChem CID 1263892) has the molecular formula C17H10Cl2FNO4 and a molecular weight of 382.17 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
PubChem CID1263892
Molecular FormulaC17H10Cl2FNO4
Molecular Weight382.17 g/mol
Exact Mass381.00
IUPAC Name(3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1cccc(F)c1
InChIInChI=1S/C17H10Cl2FNO4/c18-13-5-11-12(6-14(13)19)17(24)21(16(11)23)7-15(22)25-8-9-2-1-3-10(20)4-9/h1-6H,7-8H2
InChIKeyIAHLDGAEENVTIB-UHFFFAOYSA-N
XLogP3.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 53.47
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 (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate (CID 1263892) is (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is IAHLDGAEENVTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FNO4/c18-13-5-11-12(6-14(13)19)17(24)21(16(11)23)7-15(22)25-8-9-2-1-3-10(20)4-9/h1-6H,7-8H2.
What are the key properties of (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate?
(3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 382.17 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 1263892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).