2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide

C15H21BrN2O2 — CID 115903836

IUPAC2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide
SMILESCc1cc(Br)cc(CN(CC(N)=O)C2CCCC2)c1O
InChIInChI=1S/C15H21BrN2O2/c1-10-6-12(16)7-11(15(10)20)8-18(9-14(17)19)13-4-2-3-5-13/h6-7,13,20H,2-5,8-9H2,1H3,(H2,17,19)
InChIKeyICHCODQTWAXVSY-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.69
Rot. Bonds5

About 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide

2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide (PubChem CID 115903836) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide
PubChem CID115903836
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide
SMILESCc1cc(Br)cc(CN(CC(N)=O)C2CCCC2)c1O
InChIInChI=1S/C15H21BrN2O2/c1-10-6-12(16)7-11(15(10)20)8-18(9-14(17)19)13-4-2-3-5-13/h6-7,13,20H,2-5,8-9H2,1H3,(H2,17,19)
InChIKeyICHCODQTWAXVSY-UHFFFAOYSA-N
XLogP2.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide (CID 115903836) is 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide is Cc1cc(Br)cc(CN(CC(N)=O)C2CCCC2)c1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide?
The InChIKey is ICHCODQTWAXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-6-12(16)7-11(15(10)20)8-18(9-14(17)19)13-4-2-3-5-13/h6-7,13,20H,2-5,8-9H2,1H3,(H2,17,19).
What are the key properties of 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide?
2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide is sourced from PubChem (CID 115903836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).