3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C15H23ClN2O — CID 119537772

IUPAC3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCC2CCNC2)cc1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-3-4-14(9-12(11)2)15(18)17-8-6-13-5-7-16-10-13;/h3-4,9,13,16H,5-8,10H2,1-2H3,(H,17,18);1H
InChIKeyBVOFEPFZVDEANI-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.45
Rot. Bonds4

About 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119537772) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119537772
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCC2CCNC2)cc1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-3-4-14(9-12(11)2)15(18)17-8-6-13-5-7-16-10-13;/h3-4,9,13,16H,5-8,10H2,1-2H3,(H,17,18);1H
InChIKeyBVOFEPFZVDEANI-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537403
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119537772) is 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cc1ccc(C(=O)NCCC2CCNC2)cc1C.Cl.
What is the InChIKey of 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is BVOFEPFZVDEANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-3-4-14(9-12(11)2)15(18)17-8-6-13-5-7-16-10-13;/h3-4,9,13,16H,5-8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119537772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).