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

C17H11ClFNO4 — CID 954150

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C17H11ClFNO4/c18-13-6-3-7-14(19)12(13)9-24-15(21)8-20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2
InChIKeyDZLLZGSAGLHWNS-UHFFFAOYSA-N
MW347.73 g/mol
LogP2.82
Rot. Bonds4

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

(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 954150) has the molecular formula C17H11ClFNO4 and a molecular weight of 347.73 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID954150
Molecular FormulaC17H11ClFNO4
Molecular Weight347.73 g/mol
Exact Mass347.04
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C17H11ClFNO4/c18-13-6-3-7-14(19)12(13)9-24-15(21)8-20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2
InChIKeyDZLLZGSAGLHWNS-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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Related Compounds

(2-chloro-6-fluorophenyl)methyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 7796972
(2-chloro-6-fluorophenyl)methyl 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906828
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792377
(2,6-dichlorophenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3379267
2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951334
(2-chloro-6-fluorophenyl)methyl 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587513
ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 2767597
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677472
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
(2-chloro-6-fluorophenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955778

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate (CID 954150) is (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is DZLLZGSAGLHWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO4/c18-13-6-3-7-14(19)12(13)9-24-15(21)8-20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)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 (2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 954150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).