2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide

C18H14Cl2N2O5 — CID 2708454

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1
InChIInChI=1S/C18H14Cl2N2O5/c1-26-10-3-9(4-11(5-10)27-2)21-16(23)8-22-17(24)12-6-14(19)15(20)7-13(12)18(22)25/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyMNVKANZWVSQQNG-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.25
Rot. Bonds5

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 2708454) has the molecular formula C18H14Cl2N2O5 and a molecular weight of 409.23 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID2708454
Molecular FormulaC18H14Cl2N2O5
Molecular Weight409.23 g/mol
Exact Mass408.03
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1
InChIInChI=1S/C18H14Cl2N2O5/c1-26-10-3-9(4-11(5-10)27-2)21-16(23)8-22-17(24)12-6-14(19)15(20)7-13(12)18(22)25/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyMNVKANZWVSQQNG-UHFFFAOYSA-N
XLogP3.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 4805818
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
N-(4-bromo-2,6-dimethylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 112835557
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2525364
N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 49183275
methyl 4-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylbenzoate
CID 36930835
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)acetamide
CID 7404543
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113201377
N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 46583227
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
methyl (2R)-2-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoate
CID 8849399

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide (CID 2708454) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is MNVKANZWVSQQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O5/c1-26-10-3-9(4-11(5-10)27-2)21-16(23)8-22-17(24)12-6-14(19)15(20)7-13(12)18(22)25/h3-7H,8H2,1-2H3,(H,21,23).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 409.23 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2708454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).