2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C14H21ClN2O3 — CID 119551921

IUPAC2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-16(10-6-7-15-9-10)14(17)12-8-11(18-2)4-5-13(12)19-3;/h4-5,8,10,15H,6-7,9H2,1-3H3;1H
InChIKeySLHCMCWXYAJGBY-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.56
Rot. Bonds4

About 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119551921) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119551921
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-16(10-6-7-15-9-10)14(17)12-8-11(18-2)4-5-13(12)19-3;/h4-5,8,10,15H,6-7,9H2,1-3H3;1H
InChIKeySLHCMCWXYAJGBY-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
2,5-dimethoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79700189
2,5-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627649
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119551921) is 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is COc1ccc(OC)c(C(=O)N(C)C2CCNC2)c1.Cl.
What is the InChIKey of 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is SLHCMCWXYAJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-16(10-6-7-15-9-10)14(17)12-8-11(18-2)4-5-13(12)19-3;/h4-5,8,10,15H,6-7,9H2,1-3H3;1H.
What are the key properties of 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119551921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).