5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C16H23BrN2O — CID 65309537

IUPAC5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(11-19-7-3-4-8-19)10-18-16(20)15-9-14(17)6-5-13(15)2/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyOUTSNYMLCYKWOQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.22
Rot. Bonds5

About 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 65309537) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID65309537
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(11-19-7-3-4-8-19)10-18-16(20)15-9-14(17)6-5-13(15)2/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyOUTSNYMLCYKWOQ-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 47308839
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
2-hydrazinyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62990650
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992397
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 65309537) is 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is Cc1ccc(Br)cc1C(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is OUTSNYMLCYKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(11-19-7-3-4-8-19)10-18-16(20)15-9-14(17)6-5-13(15)2/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 65309537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).