N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide

C16H14BrF2NO — CID 107233811

IUPACN-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCc1ccc(CBr)cc1
InChIInChI=1S/C16H14BrF2NO/c17-9-11-4-6-12(7-5-11)10-20-16(21)8-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21)
InChIKeyCHMFHNSJJVXGPJ-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.72
Rot. Bonds5

About N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide

N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide (PubChem CID 107233811) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
PubChem CID107233811
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCc1ccc(CBr)cc1
InChIInChI=1S/C16H14BrF2NO/c17-9-11-4-6-12(7-5-11)10-20-16(21)8-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21)
InChIKeyCHMFHNSJJVXGPJ-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.72
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

2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107231725
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
CID 166293058
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
N-[[3-(bromomethyl)phenyl]methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313198
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
N-[[3-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide
CID 114309787
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
2-(7-fluoro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110851272
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide (CID 107233811) is N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide is O=C(Cc1c(F)cccc1F)NCc1ccc(CBr)cc1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide?
The InChIKey is CHMFHNSJJVXGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c17-9-11-4-6-12(7-5-11)10-20-16(21)8-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide?
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide has a molecular weight of 354.19 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 107233811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).