3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C14H21ClN2O — CID 119536491

IUPAC3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCC2CCNC2)c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-3-2-4-13(9-11)14(17)16-8-6-12-5-7-15-10-12;/h2-4,9,12,15H,5-8,10H2,1H3,(H,16,17);1H
InChIKeyVOTAUMUSWDUXHK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.15
Rot. Bonds4

About 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119536491) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119536491
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCC2CCNC2)c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-3-2-4-13(9-11)14(17)16-8-6-12-5-7-15-10-12;/h2-4,9,12,15H,5-8,10H2,1H3,(H,16,17);1H
InChIKeyVOTAUMUSWDUXHK-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119535155
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119536491) is 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cc1cccc(C(=O)NCCC2CCNC2)c1.Cl.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is VOTAUMUSWDUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-3-2-4-13(9-11)14(17)16-8-6-12-5-7-15-10-12;/h2-4,9,12,15H,5-8,10H2,1H3,(H,16,17);1H.
What are the key properties of 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119536491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).