2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

C18H13Cl2FN2O3 — CID 7488869

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H13Cl2FN2O3/c1-2-22(11-5-3-10(21)4-6-11)16(24)9-23-17(25)12-7-14(19)15(20)8-13(12)18(23)26/h3-8H,2,9H2,1H3
InChIKeyRLMWDTPZBFYBHH-UHFFFAOYSA-N
MW395.22 g/mol
LogP3.78
Rot. Bonds4

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 7488869) has the molecular formula C18H13Cl2FN2O3 and a molecular weight of 395.22 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID7488869
Molecular FormulaC18H13Cl2FN2O3
Molecular Weight395.22 g/mol
Exact Mass394.03
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H13Cl2FN2O3/c1-2-22(11-5-3-10(21)4-6-11)16(24)9-23-17(25)12-7-14(19)15(20)8-13(12)18(23)26/h3-8H,2,9H2,1H3
InChIKeyRLMWDTPZBFYBHH-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (CID 7488869) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is RLMWDTPZBFYBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O3/c1-2-22(11-5-3-10(21)4-6-11)16(24)9-23-17(25)12-7-14(19)15(20)8-13(12)18(23)26/h3-8H,2,9H2,1H3.
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 395.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7488869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).