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

C15H21BrN2O2 — CID 62734419

IUPACN-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C15H21BrN2O2/c1-17(9-12-5-2-3-7-14(12)16)15(20)10-18-8-4-6-13(18)11-19/h2-3,5,7,13,19H,4,6,8-11H2,1H3/t13-/m1/s1
InChIKeyZHXQXLDKWWOBEQ-CYBMUJFWSA-N
MW341.25 g/mol
LogP1.86
Rot. Bonds5

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

N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 62734419) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID62734419
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C15H21BrN2O2/c1-17(9-12-5-2-3-7-14(12)16)15(20)10-18-8-4-6-13(18)11-19/h2-3,5,7,13,19H,4,6,8-11H2,1H3/t13-/m1/s1
InChIKeyZHXQXLDKWWOBEQ-CYBMUJFWSA-N
XLogP1.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110922021
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997
N-[(2-bromophenyl)methyl]-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 42921590
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963656
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 120728275
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide (CID 62734419) is N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1CO.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is ZHXQXLDKWWOBEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-17(9-12-5-2-3-7-14(12)16)15(20)10-18-8-4-6-13(18)11-19/h2-3,5,7,13,19H,4,6,8-11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 341.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 62734419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).