2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide

C15H16ClN3O3 — CID 175145574

IUPAC2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide
SMILESO=C1CCC(N2Cc3c(NC(=O)CCl)cccc3C2=O)CN1
InChIInChI=1S/C15H16ClN3O3/c16-6-14(21)18-12-3-1-2-10-11(12)8-19(15(10)22)9-4-5-13(20)17-7-9/h1-3,9H,4-8H2,(H,17,20)(H,18,21)
InChIKeyPHPVVDBAZYABEM-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.10
Rot. Bonds3

About 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide

2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide (PubChem CID 175145574) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide
PubChem CID175145574
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide
SMILESO=C1CCC(N2Cc3c(NC(=O)CCl)cccc3C2=O)CN1
InChIInChI=1S/C15H16ClN3O3/c16-6-14(21)18-12-3-1-2-10-11(12)8-19(15(10)22)9-4-5-13(20)17-7-9/h1-3,9H,4-8H2,(H,17,20)(H,18,21)
InChIKeyPHPVVDBAZYABEM-UHFFFAOYSA-N
XLogP1.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 139448254
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-11-oxoundecanamide
CID 126719053
3-[7-(2-chloroethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142407873
N-[2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 162094806
[1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 176669538
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 155292318
2-(2-aminoethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;hydrochloride
CID 155292321
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]undec-10-enamide
CID 73293262

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide (CID 175145574) is 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide is O=C1CCC(N2Cc3c(NC(=O)CCl)cccc3C2=O)CN1.
What is the InChIKey of 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide?
The InChIKey is PHPVVDBAZYABEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-6-14(21)18-12-3-1-2-10-11(12)8-19(15(10)22)9-4-5-13(20)17-7-9/h1-3,9H,4-8H2,(H,17,20)(H,18,21).
What are the key properties of 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide?
2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide has a molecular weight of 321.76 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide is sourced from PubChem (CID 175145574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).