N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide

C14H19BrN2O — CID 115160149

IUPACN-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CC1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-11(15)8-13(10)17(2)14(18)9-12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyQAPASHQUNVTPGT-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.86
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide

N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 115160149) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID115160149
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CC1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-11(15)8-13(10)17(2)14(18)9-12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyQAPASHQUNVTPGT-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160465
N-(5-bromo-2-methylphenyl)-N-methyl-2-morpholin-2-ylacetamide
CID 115178201
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
CID 60575142
N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160127
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715258
1-(5-bromo-2-methylphenyl)-1-methylurea
CID 115168285

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide (CID 115160149) is N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide is Cc1ccc(Br)cc1N(C)C(=O)CC1CCCN1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is QAPASHQUNVTPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-6-11(15)8-13(10)17(2)14(18)9-12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide?
N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 115160149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).