N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide

C17H17BrN2O3 — CID 23859194

IUPACN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
SMILESO=C1CC(N(C(=O)C2CC2)C2CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c18-11-3-5-13(6-4-11)20-15(21)9-14(17(20)23)19(12-7-8-12)16(22)10-1-2-10/h3-6,10,12,14H,1-2,7-9H2
InChIKeyZBJSRXCPPPEAAB-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.48
Rot. Bonds4

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide (PubChem CID 23859194) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
PubChem CID23859194
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
SMILESO=C1CC(N(C(=O)C2CC2)C2CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c18-11-3-5-13(6-4-11)20-15(21)9-14(17(20)23)19(12-7-8-12)16(22)10-1-2-10/h3-6,10,12,14H,1-2,7-9H2
InChIKeyZBJSRXCPPPEAAB-UHFFFAOYSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide (CID 23859194) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide is O=C1CC(N(C(=O)C2CC2)C2CC2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide?
The InChIKey is ZBJSRXCPPPEAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-11-3-5-13(6-4-11)20-15(21)9-14(17(20)23)19(12-7-8-12)16(22)10-1-2-10/h3-6,10,12,14H,1-2,7-9H2.
What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide?
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide has a molecular weight of 377.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide is sourced from PubChem (CID 23859194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).