2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride

C19H23ClN2O2 — CID 119453556

IUPAC2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccccc1COc1ccccc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-14-6-2-3-7-15(14)13-23-18-9-5-4-8-17(18)19(22)21-16-10-11-20-12-16;/h2-9,16,20H,10-13H2,1H3,(H,21,22);1H
InChIKeyNBXAUCUFIQQFRW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.09
Rot. Bonds5

About 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119453556) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119453556
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccccc1COc1ccccc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-14-6-2-3-7-15(14)13-23-18-9-5-4-8-17(18)19(22)21-16-10-11-20-12-16;/h2-9,16,20H,10-13H2,1H3,(H,21,22);1H
InChIKeyNBXAUCUFIQQFRW-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119478339
2-[(2-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428088
2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450691
2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451945
2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
CID 119463848
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428154
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
CID 119388320
N-(2-amino-1-cyclopropylethyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119616996
2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119453556) is 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccccc1COc1ccccc1C(=O)NC1CCNC1.Cl.
What is the InChIKey of 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is NBXAUCUFIQQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-14-6-2-3-7-15(14)13-23-18-9-5-4-8-17(18)19(22)21-16-10-11-20-12-16;/h2-9,16,20H,10-13H2,1H3,(H,21,22);1H.
What are the key properties of 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119453556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).