2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide

C18H14Cl2N2O3 — CID 60622034

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(C)C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-10-3-5-11(6-4-10)21(2)16(23)9-22-17(24)12-7-14(19)15(20)8-13(12)18(22)25/h3-8H,9H2,1-2H3
InChIKeyBDDPVUJOTSUTBT-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.56
Rot. Bonds3

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

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide (PubChem CID 60622034) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide
PubChem CID60622034
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(C)C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-10-3-5-11(6-4-10)21(2)16(23)9-22-17(24)12-7-14(19)15(20)8-13(12)18(22)25/h3-8H,9H2,1-2H3
InChIKeyBDDPVUJOTSUTBT-UHFFFAOYSA-N
XLogP3.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.56
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-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
CID 113201346
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7488869
N-benzyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 2708411
N-[2-(4-chloro-N-methylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
CID 14996846
N-(1,3-benzothiazol-2-yl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 34252201
N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 22113013
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304258
[2-(dimethylamino)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 8630702
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46647711
2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
CID 119200050
N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119582495
N-methyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 21061007

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide (CID 60622034) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide is Cc1ccc(N(C)C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide?
The InChIKey is BDDPVUJOTSUTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-10-3-5-11(6-4-10)21(2)16(23)9-22-17(24)12-7-14(19)15(20)8-13(12)18(22)25/h3-8H,9H2,1-2H3.
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide has a molecular weight of 377.23 g/mol, XLogP of 3.56, 3 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-methyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60622034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).