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

C19H15Cl2FN2O3 — CID 46647711

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-10(11-3-5-12(22)6-4-11)23(2)17(25)9-24-18(26)13-7-15(20)16(21)8-14(13)19(24)27/h3-8,10H,9H2,1-2H3
InChIKeyTUHVJAGQOVSRSD-UHFFFAOYSA-N
MW409.24 g/mol
LogP3.95
Rot. Bonds4

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

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 46647711) has the molecular formula C19H15Cl2FN2O3 and a molecular weight of 409.24 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID46647711
Molecular FormulaC19H15Cl2FN2O3
Molecular Weight409.24 g/mol
Exact Mass408.04
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-10(11-3-5-12(22)6-4-11)23(2)17(25)9-24-18(26)13-7-15(20)16(21)8-14(13)19(24)27/h3-8,10H,9H2,1-2H3
InChIKeyTUHVJAGQOVSRSD-UHFFFAOYSA-N
XLogP3.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410281
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 55469146
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 72920676
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46665930
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86924890
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide
CID 60622034
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
N-[1-(3,4-difluorophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 134024782
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 134041775
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903870

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 46647711) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is TUHVJAGQOVSRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O3/c1-10(11-3-5-12(22)6-4-11)23(2)17(25)9-24-18(26)13-7-15(20)16(21)8-14(13)19(24)27/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 409.24 g/mol, XLogP of 3.95, 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-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 46647711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).