2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide

C13H12ClFN2O3 — CID 57222080

IUPAC2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NN1C(=O)CCCC1=O
InChIInChI=1S/C13H12ClFN2O3/c14-10-7-9(15)5-4-8(10)6-11(18)16-17-12(19)2-1-3-13(17)20/h4-5,7H,1-3,6H2,(H,16,18)
InChIKeyACAKZDTWDBOCOG-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.59
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide

2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide (PubChem CID 57222080) has the molecular formula C13H12ClFN2O3 and a molecular weight of 298.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide
PubChem CID57222080
Molecular FormulaC13H12ClFN2O3
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NN1C(=O)CCCC1=O
InChIInChI=1S/C13H12ClFN2O3/c14-10-7-9(15)5-4-8(10)6-11(18)16-17-12(19)2-1-3-13(17)20/h4-5,7H,1-3,6H2,(H,16,18)
InChIKeyACAKZDTWDBOCOG-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 37385902
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164
2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70753664
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 136555273
2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide
CID 122570747
2-(2-chloro-4-fluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 122146835
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide (CID 57222080) is 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide is O=C(Cc1ccc(F)cc1Cl)NN1C(=O)CCCC1=O.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide?
The InChIKey is ACAKZDTWDBOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3/c14-10-7-9(15)5-4-8(10)6-11(18)16-17-12(19)2-1-3-13(17)20/h4-5,7H,1-3,6H2,(H,16,18).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide?
2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide has a molecular weight of 298.70 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide is sourced from PubChem (CID 57222080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).