N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane

C14H19BrN2O2 — CID 123664942

IUPACN-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
SMILESCC.CN1CCC(C(=O)Nc2ccccc2Br)C1=O
InChIInChI=1S/C12H13BrN2O2.C2H6/c1-15-7-6-8(12(15)17)11(16)14-10-5-3-2-4-9(10)13;1-2/h2-5,8H,6-7H2,1H3,(H,14,16);1-2H3
InChIKeyOZOSGJJUENHKMB-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.89
Rot. Bonds2

About N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane

N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane (PubChem CID 123664942) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
PubChem CID123664942
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
SMILESCC.CN1CCC(C(=O)Nc2ccccc2Br)C1=O
InChIInChI=1S/C12H13BrN2O2.C2H6/c1-15-7-6-8(12(15)17)11(16)14-10-5-3-2-4-9(10)13;1-2/h2-5,8H,6-7H2,1H3,(H,14,16);1-2H3
InChIKeyOZOSGJJUENHKMB-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
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CID 2192347
(3S)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055305
N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86882791
N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 71795332
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide
CID 154752837
4-bromo-3-chloro-1-methylpyrazole;(3S)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154673470
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507327
1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55790178
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane?
The IUPAC name of N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane (CID 123664942) is N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane.
What is the SMILES notation for N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane?
The canonical SMILES for N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane is CC.CN1CCC(C(=O)Nc2ccccc2Br)C1=O.
What is the InChIKey of N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane?
The InChIKey is OZOSGJJUENHKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2.C2H6/c1-15-7-6-8(12(15)17)11(16)14-10-5-3-2-4-9(10)13;1-2/h2-5,8H,6-7H2,1H3,(H,14,16);1-2H3.
What are the key properties of N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane?
N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane has a molecular weight of 327.22 g/mol, XLogP of 2.89, 2 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-2-oxopyrrolidine-3-carboxamide;ethane is sourced from PubChem (CID 123664942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).