2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide

C16H23BrN2O2 — CID 27098608

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
SMILESCOc1ccc(Br)cc1CN(C)CC(=O)NC1CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-19(11-16(20)18-14-5-3-4-6-14)10-12-9-13(17)7-8-15(12)21-2/h7-9,14H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyOYFZONHGTFYYMH-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.95
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide (PubChem CID 27098608) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
PubChem CID27098608
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
SMILESCOc1ccc(Br)cc1CN(C)CC(=O)NC1CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-19(11-16(20)18-14-5-3-4-6-14)10-12-9-13(17)7-8-15(12)21-2/h7-9,14H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyOYFZONHGTFYYMH-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129377488
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 8558737
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
2-(5-bromo-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387893
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 16593688
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
4-[[(5-bromo-2-methoxyphenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024270

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide (CID 27098608) is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide is COc1ccc(Br)cc1CN(C)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide?
The InChIKey is OYFZONHGTFYYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-19(11-16(20)18-14-5-3-4-6-14)10-12-9-13(17)7-8-15(12)21-2/h7-9,14H,3-6,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide?
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide has a molecular weight of 355.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 27098608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).