N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide

C15H20BrNO2 — CID 113274875

IUPACN-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2(CBr)CCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-19-13-6-4-5-12(9-13)10-14(18)17-15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,18)
InChIKeyBUCWIOAXYIPQGL-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide

N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 113274875) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide
PubChem CID113274875
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2(CBr)CCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-19-13-6-4-5-12(9-13)10-14(18)17-15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,18)
InChIKeyBUCWIOAXYIPQGL-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
CID 70592832
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
2-(2-bromo-5-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008417
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-(3-methoxyphenyl)acetamide
CID 79698743
1-(bromomethyl)-1-[(3-methoxyphenoxy)methyl]cycloheptane
CID 65009956
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide (CID 113274875) is N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC2(CBr)CCCC2)c1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is BUCWIOAXYIPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-19-13-6-4-5-12(9-13)10-14(18)17-15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,18).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide?
N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 326.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113274875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).