4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide

C22H17ClN4O4 — CID 177187872

IUPAC4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)c4cc5c(Cl)cccc5[nH]4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H17ClN4O4/c23-15-2-1-3-16-14(15)9-17(25-16)20(29)24-12-4-5-13-11(8-12)10-27(22(13)31)18-6-7-19(28)26-21(18)30/h1-5,8-9,18,25H,6-7,10H2,(H,24,29)(H,26,28,30)
InChIKeyXJEILWUIXUKVES-UHFFFAOYSA-N
MW436.86 g/mol
LogP2.83
Rot. Bonds3

About 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide

4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide (PubChem CID 177187872) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
PubChem CID177187872
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)c4cc5c(Cl)cccc5[nH]4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H17ClN4O4/c23-15-2-1-3-16-14(15)9-17(25-16)20(29)24-12-4-5-13-11(8-12)10-27(22(13)31)18-6-7-19(28)26-21(18)30/h1-5,8-9,18,25H,6-7,10H2,(H,24,29)(H,26,28,30)
InChIKeyXJEILWUIXUKVES-UHFFFAOYSA-N
XLogP2.83
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methoxy-1H-indole-2-carboxamide
CID 177188138
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1H-indole-2-carboxamide
CID 177187982
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methyl-1H-indole-2-carboxamide
CID 177188028
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenoxybenzamide
CID 171088472
5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188021
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 177187864
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 166425804
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-propan-2-yl-1H-imidazole-2-carboxamide
CID 177187832
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(1H-indol-2-yl)acetamide
CID 177188173
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxynaphthalene-2-carboxamide
CID 166819388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide (CID 177187872) is 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide is O=C1CCC(N2Cc3cc(NC(=O)c4cc5c(Cl)cccc5[nH]4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide?
The InChIKey is XJEILWUIXUKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c23-15-2-1-3-16-14(15)9-17(25-16)20(29)24-12-4-5-13-11(8-12)10-27(22(13)31)18-6-7-19(28)26-21(18)30/h1-5,8-9,18,25H,6-7,10H2,(H,24,29)(H,26,28,30).
What are the key properties of 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide?
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 436.86 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177187872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).