2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide

C12H11ClN2O3 — CID 61358149

IUPAC2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C12H11ClN2O3/c1-14(2)9(16)6-15-8-5-3-4-7(13)10(8)11(17)12(15)18/h3-5H,6H2,1-2H3
InChIKeyQKPGFTPSKOAHAA-UHFFFAOYSA-N
MW266.68 g/mol
LogP0.96
Rot. Bonds2

About 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide

2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide (PubChem CID 61358149) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
PubChem CID61358149
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C12H11ClN2O3/c1-14(2)9(16)6-15-8-5-3-4-7(13)10(8)11(17)12(15)18/h3-5H,6H2,1-2H3
InChIKeyQKPGFTPSKOAHAA-UHFFFAOYSA-N
XLogP0.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
CID 63580023
N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide
CID 61357562
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-4-chloroindole-2,3-dione
CID 62022928
4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
CID 61357369
2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 43309780
4-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61359890
4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
CID 61357943
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
CID 113201346
4-chloro-1-(3-methylsulfonylpropyl)indole-2,3-dione
CID 63191185
4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
CID 103410240

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide (CID 61358149) is 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide?
The InChIKey is QKPGFTPSKOAHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-14(2)9(16)6-15-8-5-3-4-7(13)10(8)11(17)12(15)18/h3-5H,6H2,1-2H3.
What are the key properties of 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide?
2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide has a molecular weight of 266.68 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 61358149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).