N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide

C21H19ClN4O4 — CID 67023304

IUPACN-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3ccc(C(=O)NC(=O)Nc4ccc(Cl)cc4)cc3C2)C(=O)N1
InChIInChI=1S/C21H19ClN4O4/c22-15-3-5-16(6-4-15)23-21(30)25-19(28)12-1-2-13-10-26(11-14(13)9-12)17-7-8-18(27)24-20(17)29/h1-6,9,17H,7-8,10-11H2,(H,24,27,29)(H2,23,25,28,30)
InChIKeyZJYNAEAQTLMNJY-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.42
Rot. Bonds3

About N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide

N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide (PubChem CID 67023304) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
PubChem CID67023304
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC NameN-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3ccc(C(=O)NC(=O)Nc4ccc(Cl)cc4)cc3C2)C(=O)N1
InChIInChI=1S/C21H19ClN4O4/c22-15-3-5-16(6-4-15)23-21(30)25-19(28)12-1-2-13-10-26(11-14(13)9-12)17-7-8-18(27)24-20(17)29/h1-6,9,17H,7-8,10-11H2,(H,24,27,29)(H2,23,25,28,30)
InChIKeyZJYNAEAQTLMNJY-UHFFFAOYSA-N
XLogP2.42
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.42
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-[(2,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023326
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-4-carboxamide
CID 67228934
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023218
2-(2,6-dioxopiperidin-3-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]carbamothioyl]-1,3-dihydroisoindole-5-carboxamide
CID 87240350
N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 66589503
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229489
2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
CID 67023167
1-(2,5-dichlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]urea
CID 135264654
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide (CID 67023304) is N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide is O=C1CCC(N2Cc3ccc(C(=O)NC(=O)Nc4ccc(Cl)cc4)cc3C2)C(=O)N1.
What is the InChIKey of N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is ZJYNAEAQTLMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c22-15-3-5-16(6-4-15)23-21(30)25-19(28)12-1-2-13-10-26(11-14(13)9-12)17-7-8-18(27)24-20(17)29/h1-6,9,17H,7-8,10-11H2,(H,24,27,29)(H2,23,25,28,30).
What are the key properties of N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 67023304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).