2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide

C13H17BrN2O — CID 118740669

IUPAC2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)
InChIKeyCJKJXXPARCVYGT-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.33
Rot. Bonds3

About 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide

2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 118740669) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID118740669
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)
InChIKeyCJKJXXPARCVYGT-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pyrrolidineacetamide, N-(phenylmethyl)-
CID 2214094
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
N-(2-bromobenzyl)acetamide
CID 2824953
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
N-(1-phenylethyl)-2-(pyrrolidin-1-yl)acetamide
CID 17379650
(2S)-2-[(4-bromobenzyl)amino]-N-(cyanomethyl)-4-methylpentanamide
CID 44403029
2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 2649393
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883221
(S)-2-[1-(4-Bromo-phenyl)-ethylamino]-4-methyl-pentanoic acid cyanomethyl-amide
CID 44403032
(2S)-N-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 155511022
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(1-phenylethyl)ethanediamide
CID 2955739
(2S)-N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67458149

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide (CID 118740669) is 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC1c1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is CJKJXXPARCVYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17).
What are the key properties of 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide?
2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 297.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 118740669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).