3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C17H26Cl2N2O3 — CID 119537034

IUPAC3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NCCC2CCNC2)cc1OC.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-3-8-23-16-14(18)9-13(10-15(16)22-2)17(21)20-7-5-12-4-6-19-11-12;/h9-10,12,19H,3-8,11H2,1-2H3,(H,20,21);1H
InChIKeyZEPDOJPMKWFJJR-UHFFFAOYSA-N
MW377.31 g/mol
LogP3.29
Rot. Bonds8

About 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119537034) has the molecular formula C17H26Cl2N2O3 and a molecular weight of 377.31 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119537034
Molecular FormulaC17H26Cl2N2O3
Molecular Weight377.31 g/mol
Exact Mass376.13
IUPAC Name3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NCCC2CCNC2)cc1OC.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-3-8-23-16-14(18)9-13(10-15(16)22-2)17(21)20-7-5-12-4-6-19-11-12;/h9-10,12,19H,3-8,11H2,1-2H3,(H,20,21);1H
InChIKeyZEPDOJPMKWFJJR-UHFFFAOYSA-N
XLogP3.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535369
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119537034) is 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is CCCOc1c(Cl)cc(C(=O)NCCC2CCNC2)cc1OC.Cl.
What is the InChIKey of 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is ZEPDOJPMKWFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3.ClH/c1-3-8-23-16-14(18)9-13(10-15(16)22-2)17(21)20-7-5-12-4-6-19-11-12;/h9-10,12,19H,3-8,11H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 377.31 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119537034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).