N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide

C20H24ClN3O — CID 120780523

IUPACN-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide
SMILESCC1(CN)CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C20H24ClN3O/c1-20(13-22)9-10-24(14-20)12-15-3-2-4-18(11-15)23-19(25)16-5-7-17(21)8-6-16/h2-8,11H,9-10,12-14,22H2,1H3,(H,23,25)
InChIKeyBLSASXMQXLUUMZ-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.76
Rot. Bonds5

About N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide

N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide (PubChem CID 120780523) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide
PubChem CID120780523
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide
SMILESCC1(CN)CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C20H24ClN3O/c1-20(13-22)9-10-24(14-20)12-15-3-2-4-18(11-15)23-19(25)16-5-7-17(21)8-6-16/h2-8,11H,9-10,12-14,22H2,1H3,(H,23,25)
InChIKeyBLSASXMQXLUUMZ-UHFFFAOYSA-N
XLogP3.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride
CID 120907861
1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
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N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide
CID 11396784
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 120772224
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide (CID 120780523) is N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide is CC1(CN)CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1.
What is the InChIKey of N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide?
The InChIKey is BLSASXMQXLUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-20(13-22)9-10-24(14-20)12-15-3-2-4-18(11-15)23-19(25)16-5-7-17(21)8-6-16/h2-8,11H,9-10,12-14,22H2,1H3,(H,23,25).
What are the key properties of N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide?
N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide has a molecular weight of 357.89 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 120780523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).