3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide

C13H17ClN2O — CID 96583038

IUPAC3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C13H17ClN2O/c1-9-11(4-3-5-12(9)14)13(17)15-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyKEMOJZFUFWIFEP-SNVBAGLBSA-N
MW252.74 g/mol
LogP2.08
Rot. Bonds2

About 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide

3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide (PubChem CID 96583038) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
PubChem CID96583038
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C13H17ClN2O/c1-9-11(4-3-5-12(9)14)13(17)15-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyKEMOJZFUFWIFEP-SNVBAGLBSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949890
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
2-hydroxy-N-(1-methylpyrrolidin-3-yl)-3-nitrobenzamide
CID 103800110
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
5-chloro-2-hydrazinyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 62249311
3,6-dimethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]benzoic acid
CID 103428990
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide (CID 96583038) is 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide is Cc1c(Cl)cccc1C(=O)N[C@@H]1CCN(C)C1.
What is the InChIKey of 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The InChIKey is KEMOJZFUFWIFEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-11(4-3-5-12(9)14)13(17)15-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 96583038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).