N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C18H14Cl2N2O4 — CID 10715570

IUPACN-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C18H14Cl2N2O4/c1-21(14-7-6-13(19)12(9-23)16(14)20)15(24)8-22-17(25)10-4-2-3-5-11(10)18(22)26/h2-7,23H,8-9H2,1H3
InChIKeyKPFYEEISZWKJNZ-UHFFFAOYSA-N
MW393.23 g/mol
LogP2.74
Rot. Bonds4

About N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 10715570) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID10715570
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC NameN-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C18H14Cl2N2O4/c1-21(14-7-6-13(19)12(9-23)16(14)20)15(24)8-22-17(25)10-4-2-3-5-11(10)18(22)26/h2-7,23H,8-9H2,1H3
InChIKeyKPFYEEISZWKJNZ-UHFFFAOYSA-N
XLogP2.74
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 10715570) is N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(CO)c1Cl.
What is the InChIKey of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is KPFYEEISZWKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c1-21(14-7-6-13(19)12(9-23)16(14)20)15(24)8-22-17(25)10-4-2-3-5-11(10)18(22)26/h2-7,23H,8-9H2,1H3.
What are the key properties of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 393.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 10715570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).