4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide

C13H18ClN3O — CID 103577160

IUPAC4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
SMILESCC1CN(Cc2ccc(C(N)=O)cc2Cl)CC1N
InChIInChI=1S/C13H18ClN3O/c1-8-5-17(7-12(8)15)6-10-3-2-9(13(16)18)4-11(10)14/h2-4,8,12H,5-7,15H2,1H3,(H2,16,18)
InChIKeyFMJHRFHZQBUMGG-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.22
Rot. Bonds3

About 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide

4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide (PubChem CID 103577160) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
PubChem CID103577160
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
SMILESCC1CN(Cc2ccc(C(N)=O)cc2Cl)CC1N
InChIInChI=1S/C13H18ClN3O/c1-8-5-17(7-12(8)15)6-10-3-2-9(13(16)18)4-11(10)14/h2-4,8,12H,5-7,15H2,1H3,(H2,16,18)
InChIKeyFMJHRFHZQBUMGG-UHFFFAOYSA-N
XLogP1.22
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
3-chloro-4-[(3,4-dimethylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667964
1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide
CID 102669720
3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 102669284
3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
CID 102669228
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide
CID 102669340
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride
CID 120909633
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
1-[(4-chloro-2-nitrophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103577236
3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666774

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide (CID 103577160) is 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide is CC1CN(Cc2ccc(C(N)=O)cc2Cl)CC1N.
What is the InChIKey of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide?
The InChIKey is FMJHRFHZQBUMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8-5-17(7-12(8)15)6-10-3-2-9(13(16)18)4-11(10)14/h2-4,8,12H,5-7,15H2,1H3,(H2,16,18).
What are the key properties of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide?
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide has a molecular weight of 267.76 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide is sourced from PubChem (CID 103577160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).