N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride

C20H25ClN2O3 — CID 154892672

IUPACN-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc(C2CCNC2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-18-4-3-5-19(25-2)17(18)13-22-20(23)15-8-6-14(7-9-15)16-10-11-21-12-16;/h3-9,16,21H,10-13H2,1-2H3,(H,22,23);1H
InChIKeyKCEDNRMBLYWJMJ-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.13
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride

N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 154892672) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID154892672
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc(C2CCNC2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-18-4-3-5-19(25-2)17(18)13-22-20(23)15-8-6-14(7-9-15)16-10-11-21-12-16;/h3-9,16,21H,10-13H2,1-2H3,(H,22,23);1H
InChIKeyKCEDNRMBLYWJMJ-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride (CID 154892672) is N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride is COc1cccc(OC)c1CNC(=O)c1ccc(C2CCNC2)cc1.Cl.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is KCEDNRMBLYWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-24-18-4-3-5-19(25-2)17(18)13-22-20(23)15-8-6-14(7-9-15)16-10-11-21-12-16;/h3-9,16,21H,10-13H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride?
N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-4-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 154892672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).