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

C15H12BrF2NO — CID 114309787

IUPACN-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)Nc1ccccc1CBr
InChIInChI=1S/C15H12BrF2NO/c16-9-10-4-1-2-7-14(10)19-15(20)8-11-12(17)5-3-6-13(11)18/h1-7H,8-9H2,(H,19,20)
InChIKeyWANVMIFWOXWIKZ-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.04
Rot. Bonds4

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

N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide (PubChem CID 114309787) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide
PubChem CID114309787
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)Nc1ccccc1CBr
InChIInChI=1S/C15H12BrF2NO/c16-9-10-4-1-2-7-14(10)19-15(20)8-11-12(17)5-3-6-13(11)18/h1-7H,8-9H2,(H,19,20)
InChIKeyWANVMIFWOXWIKZ-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.04
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-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide
CID 114309616
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
N-[2-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16791890
1-[2-(bromomethyl)-6-fluorophenyl]propan-2-one
CID 130968306
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide (CID 114309787) is N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide is O=C(Cc1c(F)cccc1F)Nc1ccccc1CBr.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide?
The InChIKey is WANVMIFWOXWIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-9-10-4-1-2-7-14(10)19-15(20)8-11-12(17)5-3-6-13(11)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide?
N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide has a molecular weight of 340.17 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 114309787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).