2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide

C17H13ClN2O3 — CID 113201346

IUPAC2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1C(=O)c2cccc(Cl)c2C1=O)c1ccccc1
InChIInChI=1S/C17H13ClN2O3/c1-19(11-6-3-2-4-7-11)14(21)10-20-16(22)12-8-5-9-13(18)15(12)17(20)23/h2-9H,10H2,1H3
InChIKeyJQYRUZFZRHUERO-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.60
Rot. Bonds3

About 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide

2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide (PubChem CID 113201346) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
PubChem CID113201346
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1C(=O)c2cccc(Cl)c2C1=O)c1ccccc1
InChIInChI=1S/C17H13ClN2O3/c1-19(11-6-3-2-4-7-11)14(21)10-20-16(22)12-8-5-9-13(18)15(12)17(20)23/h2-9H,10H2,1H3
InChIKeyJQYRUZFZRHUERO-UHFFFAOYSA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.60
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)acetic acid
CID 117031849
N-[2-(4-chloro-N-methylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
CID 14996846
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide
CID 60622034
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 22113013
4-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 113201284
2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
CID 61358149
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
CID 19754764
N-[3-(bromomethyl)-2,4-dichlorophenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 22113338

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide (CID 113201346) is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide is CN(C(=O)CN1C(=O)c2cccc(Cl)c2C1=O)c1ccccc1.
What is the InChIKey of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide?
The InChIKey is JQYRUZFZRHUERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-19(11-6-3-2-4-7-11)14(21)10-20-16(22)12-8-5-9-13(18)15(12)17(20)23/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide?
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide has a molecular weight of 328.76 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113201346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).