N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C18H14Cl2N2O3 — CID 22113013

IUPACN-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCc1c(Cl)ccc(N(C)C(=O)CN2C(=O)c3ccccc3C2=O)c1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-10-13(19)7-8-14(16(10)20)21(2)15(23)9-22-17(24)11-5-3-4-6-12(11)18(22)25/h3-8H,9H2,1-2H3
InChIKeyUYMAJJLZLRNWIS-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.56
Rot. Bonds3

About N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 22113013) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID22113013
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC NameN-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCc1c(Cl)ccc(N(C)C(=O)CN2C(=O)c3ccccc3C2=O)c1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-10-13(19)7-8-14(16(10)20)21(2)15(23)9-22-17(24)11-5-3-4-6-12(11)18(22)25/h3-8H,9H2,1-2H3
InChIKeyUYMAJJLZLRNWIS-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 22113013) is N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is Cc1c(Cl)ccc(N(C)C(=O)CN2C(=O)c3ccccc3C2=O)c1Cl.
What is the InChIKey of N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is UYMAJJLZLRNWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-10-13(19)7-8-14(16(10)20)21(2)15(23)9-22-17(24)11-5-3-4-6-12(11)18(22)25/h3-8H,9H2,1-2H3.
What are the key properties of N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide 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 N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 22113013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).