N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride

C20H24ClN3O2 — CID 120804908

IUPACN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-20(13-21)11-12-23(14-20)19(25)16-7-9-17(10-8-16)22-18(24)15-5-3-2-4-6-15;/h2-10H,11-14,21H2,1H3,(H,22,24);1H
InChIKeyCAEVNEGMUOAYEC-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.17
Rot. Bonds4

About N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride

N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride (PubChem CID 120804908) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
PubChem CID120804908
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-20(13-21)11-12-23(14-20)19(25)16-7-9-17(10-8-16)22-18(24)15-5-3-2-4-6-15;/h2-10H,11-14,21H2,1H3,(H,22,24);1H
InChIKeyCAEVNEGMUOAYEC-UHFFFAOYSA-N
XLogP3.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120808098
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 120809661
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]propan-1-one
CID 120807183
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 120807745
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 120804177
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 120808706
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120808264
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride (CID 120804908) is N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride is CC1(CN)CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1.Cl.
What is the InChIKey of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The InChIKey is CAEVNEGMUOAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-20(13-21)11-12-23(14-20)19(25)16-7-9-17(10-8-16)22-18(24)15-5-3-2-4-6-15;/h2-10H,11-14,21H2,1H3,(H,22,24);1H.
What are the key properties of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride?
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 120804908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).