N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide

C13H15BrN2O2 — CID 25249643

IUPACN-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H15BrN2O2/c1-7-5-9(14)6-8(2)12(7)16-13(18)10-3-4-11(17)15-10/h5-6,10H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXWXARMCUITYPRV-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.28
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 25249643) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID25249643
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H15BrN2O2/c1-7-5-9(14)6-8(2)12(7)16-13(18)10-3-4-11(17)15-10/h5-6,10H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXWXARMCUITYPRV-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476
5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112761773
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187
3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43417240
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760710
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 60651450
N-(4-bromo-2,6-dimethylphenyl)thiolane-2-carboxamide
CID 65499513
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 25249643) is N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XWXARMCUITYPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-7-5-9(14)6-8(2)12(7)16-13(18)10-3-4-11(17)15-10/h5-6,10H,3-4H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 25249643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).