N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C12H13BrN2O2 — CID 104938731

IUPACN-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C12H13BrN2O2/c1-7-2-9(13)5-10(3-7)15-12(17)8-4-11(16)14-6-8/h2-3,5,8H,4,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyGCKMDFYUYLHSPY-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.83
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 104938731) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID104938731
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C12H13BrN2O2/c1-7-2-9(13)5-10(3-7)15-12(17)8-4-11(16)14-6-8/h2-3,5,8H,4,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyGCKMDFYUYLHSPY-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 81489355
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide
CID 154866180
1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
CID 110671730
N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 79840955
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745
3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 104938731) is N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(Br)cc(NC(=O)C2CNC(=O)C2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GCKMDFYUYLHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7-2-9(13)5-10(3-7)15-12(17)8-4-11(16)14-6-8/h2-3,5,8H,4,6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 104938731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).