N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C12H13BrN2O2 — CID 43806476

IUPACN-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H13BrN2O2/c1-7-2-3-8(13)6-10(7)15-12(17)9-4-5-11(16)14-9/h2-3,6,9H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyALWOHOWTKVGJPX-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.97
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 43806476) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID43806476
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H13BrN2O2/c1-7-2-3-8(13)6-10(7)15-12(17)9-4-5-11(16)14-9/h2-3,6,9H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyALWOHOWTKVGJPX-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 25249643
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103754877
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43806366
(2S)-N-[5-bromo-2-[(4-hydroxycyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide
CID 134459549
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 60651450
4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 79527030
N-(5-bromo-2-methylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64867228
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 43806476) is N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(Br)cc1NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ALWOHOWTKVGJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7-2-3-8(13)6-10(7)15-12(17)9-4-5-11(16)14-9/h2-3,6,9H,4-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 43806476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).