N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide

C21H16Cl2N4O5 — CID 67230176

IUPACN-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccc(Cl)c(Cl)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C21H16Cl2N4O5/c22-13-5-4-11(8-14(13)23)24-21(32)26-18(29)12-3-1-2-10-9-27(20(31)17(10)12)15-6-7-16(28)25-19(15)30/h1-5,8,15H,6-7,9H2,(H,25,28,30)(H2,24,26,29,32)
InChIKeyXHUPSDYGUFJVGR-UHFFFAOYSA-N
MW475.29 g/mol
LogP2.72
Rot. Bonds3

About N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide

N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 67230176) has the molecular formula C21H16Cl2N4O5 and a molecular weight of 475.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID67230176
Molecular FormulaC21H16Cl2N4O5
Molecular Weight475.29 g/mol
Exact Mass474.05
IUPAC NameN-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccc(Cl)c(Cl)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C21H16Cl2N4O5/c22-13-5-4-11(8-14(13)23)24-21(32)26-18(29)12-3-1-2-10-9-27(20(31)17(10)12)15-6-7-16(28)25-19(15)30/h1-5,8,15H,6-7,9H2,(H,25,28,30)(H2,24,26,29,32)
InChIKeyXHUPSDYGUFJVGR-UHFFFAOYSA-N
XLogP2.72
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.29
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-4-carboxamide
CID 67228934
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229489
N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 174550509
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967
2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 178002255
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236
2-(2,5-dioxopyrrolidin-3-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 167737443
1-(3-chloro-4-methylphenyl)-3-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 121225589
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
CID 177187872
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
[2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(3-chloro-4-methylphenyl)carbamate
CID 166074305
3-[5-chloro-4-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342407

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide (CID 67230176) is N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide is O=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccc(Cl)c(Cl)c4)c3C2=O)C(=O)N1.
What is the InChIKey of N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is XHUPSDYGUFJVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O5/c22-13-5-4-11(8-14(13)23)24-21(32)26-18(29)12-3-1-2-10-9-27(20(31)17(10)12)15-6-7-16(28)25-19(15)30/h1-5,8,15H,6-7,9H2,(H,25,28,30)(H2,24,26,29,32).
What are the key properties of N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 475.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 67230176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).