5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide

C13H17ClN2O — CID 107423069

IUPAC5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(C)CCNC1
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-10(14)7-11(9)12(17)16-13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWYUHDDBEUBLEPJ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.13
Rot. Bonds2

About 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide

5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide (PubChem CID 107423069) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
PubChem CID107423069
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(C)CCNC1
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-10(14)7-11(9)12(17)16-13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWYUHDDBEUBLEPJ-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
CID 134505611
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 82883411
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
3-methyl-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422634
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423637
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
CID 114696498
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422680

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide (CID 107423069) is 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide is Cc1ccc(Cl)cc1C(=O)NC1(C)CCNC1.
What is the InChIKey of 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide?
The InChIKey is WYUHDDBEUBLEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-3-4-10(14)7-11(9)12(17)16-13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide?
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107423069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).