2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C19H22BrClN2O2 — CID 119553751

IUPAC2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1OCc1ccccc1Br)C1CCNC1.Cl
InChIInChI=1S/C19H21BrN2O2.ClH/c1-22(15-10-11-21-12-15)19(23)16-7-3-5-9-18(16)24-13-14-6-2-4-8-17(14)20;/h2-9,15,21H,10-13H2,1H3;1H
InChIKeySONFNQVDFJFIFM-UHFFFAOYSA-N
MW425.75 g/mol
LogP3.88
Rot. Bonds5

About 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119553751) has the molecular formula C19H22BrClN2O2 and a molecular weight of 425.75 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119553751
Molecular FormulaC19H22BrClN2O2
Molecular Weight425.75 g/mol
Exact Mass424.06
IUPAC Name2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1OCc1ccccc1Br)C1CCNC1.Cl
InChIInChI=1S/C19H21BrN2O2.ClH/c1-22(15-10-11-21-12-15)19(23)16-7-3-5-9-18(16)24-13-14-6-2-4-8-17(14)20;/h2-9,15,21H,10-13H2,1H3;1H
InChIKeySONFNQVDFJFIFM-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
2-[(4-chlorophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552537
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
CID 112762956
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119553751) is 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CN(C(=O)c1ccccc1OCc1ccccc1Br)C1CCNC1.Cl.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is SONFNQVDFJFIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2.ClH/c1-22(15-10-11-21-12-15)19(23)16-7-3-5-9-18(16)24-13-14-6-2-4-8-17(14)20;/h2-9,15,21H,10-13H2,1H3;1H.
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 425.75 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119553751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).