N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride

C21H26ClN3O2 — CID 119541237

IUPACN-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)C1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15-8-9-18(21(26)24-11-10-16(14-24)13-22-2)12-19(15)23-20(25)17-6-4-3-5-7-17;/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,23,25);1H
InChIKeyXZXVKSXJDSUBFX-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.35
Rot. Bonds5

About N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride

N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride (PubChem CID 119541237) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
PubChem CID119541237
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)C1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15-8-9-18(21(26)24-11-10-16(14-24)13-22-2)12-19(15)23-20(25)17-6-4-3-5-7-17;/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,23,25);1H
InChIKeyXZXVKSXJDSUBFX-UHFFFAOYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride (CID 119541237) is N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride is CNCC1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)C1.Cl.
What is the InChIKey of N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The InChIKey is XZXVKSXJDSUBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-15-8-9-18(21(26)24-11-10-16(14-24)13-22-2)12-19(15)23-20(25)17-6-4-3-5-7-17;/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,23,25);1H.
What are the key properties of N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119541237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).