2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C14H19BrN2O — CID 113259158

IUPAC2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CCCN2C)c1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-13(15)12(8-10)14(18)16-9-11-4-3-7-17(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyJYNCERQPRJMTPX-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds3

About 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 113259158) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID113259158
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CCCN2C)c1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-13(15)12(8-10)14(18)16-9-11-4-3-7-17(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyJYNCERQPRJMTPX-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2-bromo-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107027005
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
4-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 114138158
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114138586

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 113259158) is 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is Cc1ccc(Br)c(C(=O)NCC2CCCN2C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is JYNCERQPRJMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-6-13(15)12(8-10)14(18)16-9-11-4-3-7-17(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 113259158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).