N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide

C13H17BrN2O — CID 8901793

IUPACN-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCC2)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-10-8-11(4-5-12(10)14)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyJZCNNVTXHWWORU-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.79
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide

N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 8901793) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID8901793
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCC2)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-10-8-11(4-5-12(10)14)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyJZCNNVTXHWWORU-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
N-[1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37466938
N-(4-bromo-3-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690820
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119925570
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(4-bromo-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491998
N-(4-bromo-3-methylphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495521
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816386
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide (CID 8901793) is N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide is Cc1cc(NC(=O)CN2CCCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is JZCNNVTXHWWORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-10-8-11(4-5-12(10)14)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 297.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 8901793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).