2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide

C12H14Cl2N2O — CID 107422948

IUPAC2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCC1(NC(=O)c2cccc(Cl)c2Cl)CCNC1
InChIInChI=1S/C12H14Cl2N2O/c1-12(5-6-15-7-12)16-11(17)8-3-2-4-9(13)10(8)14/h2-4,15H,5-7H2,1H3,(H,16,17)
InChIKeyDKWJBMSBNKWMJS-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.48
Rot. Bonds2

About 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide

2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide (PubChem CID 107422948) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
PubChem CID107422948
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCC1(NC(=O)c2cccc(Cl)c2Cl)CCNC1
InChIInChI=1S/C12H14Cl2N2O/c1-12(5-6-15-7-12)16-11(17)8-3-2-4-9(13)10(8)14/h2-4,15H,5-7H2,1H3,(H,16,17)
InChIKeyDKWJBMSBNKWMJS-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide 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-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide
CID 114696417
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422680
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
3-chloro-N-(1-methylcyclopropyl)-2-nitrobenzamide
CID 115681576
2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422597
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
N-(3-methylpyrrolidin-3-yl)pyridazine-4-carboxamide
CID 107423050
3-hydroxy-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107423037
2,3-dichloro-N-sulfanylbenzamide
CID 71773851

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide (CID 107422948) is 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide is CC1(NC(=O)c2cccc(Cl)c2Cl)CCNC1.
What is the InChIKey of 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide?
The InChIKey is DKWJBMSBNKWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-12(5-6-15-7-12)16-11(17)8-3-2-4-9(13)10(8)14/h2-4,15H,5-7H2,1H3,(H,16,17).
What are the key properties of 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide?
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide has a molecular weight of 273.16 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107422948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).