N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide

C15H20BrNO2 — CID 107233900

IUPACN-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCc2ccc(CBr)cc2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-19-15(7-2-8-15)9-14(18)17-11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-11H2,1H3,(H,17,18)
InChIKeyWJMCLROEIGOKHB-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.16
Rot. Bonds6

About N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide

N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 107233900) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID107233900
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCc2ccc(CBr)cc2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-19-15(7-2-8-15)9-14(18)17-11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-11H2,1H3,(H,17,18)
InChIKeyWJMCLROEIGOKHB-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.16
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-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103520088
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid
CID 103555742
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557434
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
CID 107233781
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
methyl 2-bromo-3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103558349
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
N-[[4-(bromomethyl)phenyl]methyl]-2-propan-2-yloxyacetamide
CID 107233774
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 106145015
N-(3-amino-3-phenylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557357

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide (CID 107233900) is N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCc2ccc(CBr)cc2)CCC1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is WJMCLROEIGOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-19-15(7-2-8-15)9-14(18)17-11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 326.23 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 107233900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).