N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

C18H17BrN2O2 — CID 42652477

IUPACN-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2Br)C1c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-21-16(22)11-13(17(21)12-7-3-2-4-8-12)18(23)20-15-10-6-5-9-14(15)19/h2-10,13,17H,11H2,1H3,(H,20,23)
InChIKeyFKSZVNCDGMBMRK-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.61
Rot. Bonds3

About N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 42652477) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID42652477
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2Br)C1c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-21-16(22)11-13(17(21)12-7-3-2-4-8-12)18(23)20-15-10-6-5-9-14(15)19/h2-10,13,17H,11H2,1H3,(H,20,23)
InChIKeyFKSZVNCDGMBMRK-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 42652477) is N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)Nc2ccccc2Br)C1c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is FKSZVNCDGMBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-21-16(22)11-13(17(21)12-7-3-2-4-8-12)18(23)20-15-10-6-5-9-14(15)19/h2-10,13,17H,11H2,1H3,(H,20,23).
What are the key properties of N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42652477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).