N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide

C21H19ClN2O3 — CID 23803618

IUPACN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C2CC2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C21H19ClN2O3/c1-13-2-4-14(5-3-13)20(26)23(16-10-11-16)18-12-19(25)24(21(18)27)17-8-6-15(22)7-9-17/h2-9,16,18H,10-12H2,1H3
InChIKeyWGDQMJOWKZVDJH-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 23803618) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID23803618
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C2CC2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C21H19ClN2O3/c1-13-2-4-14(5-3-13)20(26)23(16-10-11-16)18-12-19(25)24(21(18)27)17-8-6-15(22)7-9-17/h2-9,16,18H,10-12H2,1H3
InChIKeyWGDQMJOWKZVDJH-UHFFFAOYSA-N
XLogP3.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23888619
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23942984
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylacetamide
CID 23830804
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-4-methylbenzamide
CID 23803625
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylthiophene-2-carboxamide
CID 23859377
N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23943157
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentyl-3-nitrobenzamide
CID 23860768

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide (CID 23803618) is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)N(C2CC2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is WGDQMJOWKZVDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-13-2-4-14(5-3-13)20(26)23(16-10-11-16)18-12-19(25)24(21(18)27)17-8-6-15(22)7-9-17/h2-9,16,18H,10-12H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide?
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 382.85 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 23803618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).