3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C14H21ClN2O2 — CID 119509893

IUPAC3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2CCCN2)ccc1C.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10-5-6-11(8-13(10)18-2)14(17)16-9-12-4-3-7-15-12;/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,16,17);1H
InChIKeyDNXYZQOEQUNPDY-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.91
Rot. Bonds4

About 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119509893) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119509893
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2CCCN2)ccc1C.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10-5-6-11(8-13(10)18-2)14(17)16-9-12-4-3-7-15-12;/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,16,17);1H
InChIKeyDNXYZQOEQUNPDY-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512053
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431
4-methoxy-N-methyl-3-[4-[[(2S)-pyrrolidin-2-yl]methylcarbamoyl]phenyl]benzamide;hydrochloride
CID 154904287
3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 115736888
4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514863
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136
4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 55084346
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119509893) is 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is COc1cc(C(=O)NCC2CCCN2)ccc1C.Cl.
What is the InChIKey of 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is DNXYZQOEQUNPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-10-5-6-11(8-13(10)18-2)14(17)16-9-12-4-3-7-15-12;/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119509893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).