3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C15H22BrClN2O3 — CID 119509775

IUPAC3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCOc1c(Br)cc(C(=O)NCC2CCCN2)cc1OC.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-3-21-14-12(16)7-10(8-13(14)20-2)15(19)18-9-11-5-4-6-17-11;/h7-8,11,17H,3-6,9H2,1-2H3,(H,18,19);1H
InChIKeyKGTVXKCZXCVJBJ-UHFFFAOYSA-N
MW393.71 g/mol
LogP2.76
Rot. Bonds6

About 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119509775) has the molecular formula C15H22BrClN2O3 and a molecular weight of 393.71 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119509775
Molecular FormulaC15H22BrClN2O3
Molecular Weight393.71 g/mol
Exact Mass392.05
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCOc1c(Br)cc(C(=O)NCC2CCCN2)cc1OC.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-3-21-14-12(16)7-10(8-13(14)20-2)15(19)18-9-11-5-4-6-17-11;/h7-8,11,17H,3-6,9H2,1-2H3,(H,18,19);1H
InChIKeyKGTVXKCZXCVJBJ-UHFFFAOYSA-N
XLogP2.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514863
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
CID 119461766
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 14665499
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510428
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512053

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119509775) is 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CCOc1c(Br)cc(C(=O)NCC2CCCN2)cc1OC.Cl.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is KGTVXKCZXCVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3.ClH/c1-3-21-14-12(16)7-10(8-13(14)20-2)15(19)18-9-11-5-4-6-17-11;/h7-8,11,17H,3-6,9H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 393.71 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119509775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).