N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C21H18ClN3O4 — CID 43971264

IUPACN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H18ClN3O4/c22-13-5-7-15(8-6-13)25-12-14(11-19(25)27)23-18(26)9-10-24-20(28)16-3-1-2-4-17(16)21(24)29/h1-8,14H,9-12H2,(H,23,26)
InChIKeyMZNYPSLAXJOMQE-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.25
Rot. Bonds5

About N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 43971264) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID43971264
Molecular FormulaC21H18ClN3O4
Molecular Weight411.85 g/mol
Exact Mass411.10
IUPAC NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H18ClN3O4/c22-13-5-7-15(8-6-13)25-12-14(11-19(25)27)23-18(26)9-10-24-20(28)16-3-1-2-4-17(16)21(24)29/h1-8,14H,9-12H2,(H,23,26)
InChIKeyMZNYPSLAXJOMQE-UHFFFAOYSA-N
XLogP2.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.25
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

3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7547526
4-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7563765
3-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563558
3-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971149
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 16822370
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-oxoazepan-1-yl)propanamide
CID 131899265
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-1-ylacetamide
CID 7563968

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 43971264) is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is MZNYPSLAXJOMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c22-13-5-7-15(8-6-13)25-12-14(11-19(25)27)23-18(26)9-10-24-20(28)16-3-1-2-4-17(16)21(24)29/h1-8,14H,9-12H2,(H,23,26).
What are the key properties of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 411.85 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 43971264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).