N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H17BrN2O2 — CID 2901155

IUPACN-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(Br)cc3)CC2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-2-8-16(9-3-12)21-11-13(10-17(21)22)18(23)20-15-6-4-14(19)5-7-15/h2-9,13H,10-11H2,1H3,(H,20,23)
InChIKeyKHXAABHHPPSSIX-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.75
Rot. Bonds3

About N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2901155) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2901155
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(Br)cc3)CC2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-2-8-16(9-3-12)21-11-13(10-17(21)22)18(23)20-15-6-4-14(19)5-7-15/h2-9,13H,10-11H2,1H3,(H,20,23)
InChIKeyKHXAABHHPPSSIX-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2901155) is N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(Br)cc3)CC2=O)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KHXAABHHPPSSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-2-8-16(9-3-12)21-11-13(10-17(21)22)18(23)20-15-6-4-14(19)5-7-15/h2-9,13H,10-11H2,1H3,(H,20,23).
What are the key properties of N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2901155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).