2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide

C27H22ClN3O4 — CID 154859724

IUPAC2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C27H22ClN3O4/c1-16(17-8-11-19(12-9-17)30-14-4-7-24(30)32)29-25(33)18-10-13-20-21(15-18)27(35)31(26(20)34)23-6-3-2-5-22(23)28/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3,(H,29,33)
InChIKeySAFDMNUNKGMBEL-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.76
Rot. Bonds5

About 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide

2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide (PubChem CID 154859724) has the molecular formula C27H22ClN3O4 and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide
PubChem CID154859724
Molecular FormulaC27H22ClN3O4
Molecular Weight487.94 g/mol
Exact Mass487.13
IUPAC Name2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C27H22ClN3O4/c1-16(17-8-11-19(12-9-17)30-14-4-7-24(30)32)29-25(33)18-10-13-20-21(15-18)27(35)31(26(20)34)23-6-3-2-5-22(23)28/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3,(H,29,33)
InChIKeySAFDMNUNKGMBEL-UHFFFAOYSA-N
XLogP4.76
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
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N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51582804
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
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N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide (CID 154859724) is 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide?
The InChIKey is SAFDMNUNKGMBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O4/c1-16(17-8-11-19(12-9-17)30-14-4-7-24(30)32)29-25(33)18-10-13-20-21(15-18)27(35)31(26(20)34)23-6-3-2-5-22(23)28/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3,(H,29,33).
What are the key properties of 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide?
2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide has a molecular weight of 487.94 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide is sourced from PubChem (CID 154859724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).