2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide

C13H13ClN2O3 — CID 110186635

IUPAC2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
SMILESO=C1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C13H13ClN2O3/c14-9-3-1-8(2-4-9)7-12(18)15-10-5-6-11(17)16-13(10)19/h1-4,10H,5-7H2,(H,15,18)(H,16,17,19)/t10-/m0/s1
InChIKeyBSGHJBBTSRDBNI-JTQLQIEISA-N
MW280.71 g/mol
LogP0.80
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide

2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide (PubChem CID 110186635) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
PubChem CID110186635
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
SMILESO=C1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C13H13ClN2O3/c14-9-3-1-8(2-4-9)7-12(18)15-10-5-6-11(17)16-13(10)19/h1-4,10H,5-7H2,(H,15,18)(H,16,17,19)/t10-/m0/s1
InChIKeyBSGHJBBTSRDBNI-JTQLQIEISA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 110483854
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 154591725
2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
CID 95368466
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
2-(2-aminoethoxy)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 79478388
N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
CID 136540043
2-(3-amino-2-pyridinyl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 155218183
3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
CID 81146324
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide (CID 110186635) is 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide is O=C1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide?
The InChIKey is BSGHJBBTSRDBNI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13ClN2O3/c14-9-3-1-8(2-4-9)7-12(18)15-10-5-6-11(17)16-13(10)19/h1-4,10H,5-7H2,(H,15,18)(H,16,17,19)/t10-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide has a molecular weight of 280.71 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide is sourced from PubChem (CID 110186635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).