3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

C14H20BrClN2O3 — CID 119449468

IUPAC3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCOc1c(Br)cc(C(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C14H19BrN2O3.ClH/c1-3-20-13-11(15)6-9(7-12(13)19-2)14(18)17-10-4-5-16-8-10;/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18);1H
InChIKeyXOFRKIDOUQYXFN-UHFFFAOYSA-N
MW379.68 g/mol
LogP2.37
Rot. Bonds5

About 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119449468) has the molecular formula C14H20BrClN2O3 and a molecular weight of 379.68 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119449468
Molecular FormulaC14H20BrClN2O3
Molecular Weight379.68 g/mol
Exact Mass378.03
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCOc1c(Br)cc(C(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C14H19BrN2O3.ClH/c1-3-20-13-11(15)6-9(7-12(13)19-2)14(18)17-10-4-5-16-8-10;/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18);1H
InChIKeyXOFRKIDOUQYXFN-UHFFFAOYSA-N
XLogP2.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450911
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 119213204

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119449468) is 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCOc1c(Br)cc(C(=O)NC2CCNC2)cc1OC.Cl.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is XOFRKIDOUQYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3.ClH/c1-3-20-13-11(15)6-9(7-12(13)19-2)14(18)17-10-4-5-16-8-10;/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 379.68 g/mol, XLogP of 2.37, 5 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-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119449468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).