N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide

C11H11BrN2O2 — CID 3124662

IUPACN-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(Br)c2)N1
InChIInChI=1S/C11H11BrN2O2/c12-7-2-1-3-8(6-7)13-11(16)9-4-5-10(15)14-9/h1-3,6,9H,4-5H2,(H,13,16)(H,14,15)
InChIKeyMSEAPDVWEYPUDJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.67
Rot. Bonds2

About N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide

N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3124662) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3124662
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC NameN-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(Br)c2)N1
InChIInChI=1S/C11H11BrN2O2/c12-7-2-1-3-8(6-7)13-11(16)9-4-5-10(15)14-9/h1-3,6,9H,4-5H2,(H,13,16)(H,14,15)
InChIKeyMSEAPDVWEYPUDJ-UHFFFAOYSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide (CID 3124662) is N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2cccc(Br)c2)N1.
What is the InChIKey of N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MSEAPDVWEYPUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-7-2-1-3-8(6-7)13-11(16)9-4-5-10(15)14-9/h1-3,6,9H,4-5H2,(H,13,16)(H,14,15).
What are the key properties of N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 283.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3124662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).