N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide

C15H18BrF2NO — CID 106367286

IUPACN-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NC1CCCCC1CBr
InChIInChI=1S/C15H18BrF2NO/c16-9-10-4-1-2-7-14(10)19-15(20)8-11-12(17)5-3-6-13(11)18/h3,5-6,10,14H,1-2,4,7-9H2,(H,19,20)
InChIKeyIFUQNVNQOLGXDI-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide

N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide (PubChem CID 106367286) has the molecular formula C15H18BrF2NO and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
PubChem CID106367286
Molecular FormulaC15H18BrF2NO
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NC1CCCCC1CBr
InChIInChI=1S/C15H18BrF2NO/c16-9-10-4-1-2-7-14(10)19-15(20)8-11-12(17)5-3-6-13(11)18/h3,5-6,10,14H,1-2,4,7-9H2,(H,19,20)
InChIKeyIFUQNVNQOLGXDI-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
CID 106367187
N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
CID 106367232
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
CID 114179501
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide (CID 106367286) is N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide is O=C(Cc1c(F)cccc1F)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide?
The InChIKey is IFUQNVNQOLGXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2NO/c16-9-10-4-1-2-7-14(10)19-15(20)8-11-12(17)5-3-6-13(11)18/h3,5-6,10,14H,1-2,4,7-9H2,(H,19,20).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide?
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide has a molecular weight of 346.22 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 106367286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).