2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C17H26BrClN2O3 — CID 119510428

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)NCC2CCCN2)cc1OCC.Cl
InChIInChI=1S/C17H25BrN2O3.ClH/c1-3-22-15-8-12(14(18)10-16(15)23-4-2)9-17(21)20-11-13-6-5-7-19-13;/h8,10,13,19H,3-7,9,11H2,1-2H3,(H,20,21);1H
InChIKeyFIETXKQMVKEIFF-UHFFFAOYSA-N
MW421.76 g/mol
LogP3.08
Rot. Bonds8

About 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119510428) has the molecular formula C17H26BrClN2O3 and a molecular weight of 421.76 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119510428
Molecular FormulaC17H26BrClN2O3
Molecular Weight421.76 g/mol
Exact Mass420.08
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)NCC2CCCN2)cc1OCC.Cl
InChIInChI=1S/C17H25BrN2O3.ClH/c1-3-22-15-8-12(14(18)10-16(15)23-4-2)9-17(21)20-11-13-6-5-7-19-13;/h8,10,13,19H,3-7,9,11H2,1-2H3,(H,20,21);1H
InChIKeyFIETXKQMVKEIFF-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.76
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119601169
2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441604
2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 59529213
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828754
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
4-ethoxy-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512043

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119510428) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is CCOc1cc(Br)c(CC(=O)NCC2CCCN2)cc1OCC.Cl.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is FIETXKQMVKEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3.ClH/c1-3-22-15-8-12(14(18)10-16(15)23-4-2)9-17(21)20-11-13-6-5-7-19-13;/h8,10,13,19H,3-7,9,11H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 421.76 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119510428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).