N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide

C14H9BrF3NO — CID 114309616

IUPACN-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide
SMILESO=C(Nc1ccccc1CBr)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9BrF3NO/c15-7-8-3-1-2-4-12(8)19-14(20)13-10(17)5-9(16)6-11(13)18/h1-6H,7H2,(H,19,20)
InChIKeyPOGBDZUBUHRXRO-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.25
Rot. Bonds3

About N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide

N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide (PubChem CID 114309616) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide
PubChem CID114309616
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC NameN-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide
SMILESO=C(Nc1ccccc1CBr)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9BrF3NO/c15-7-8-3-1-2-4-12(8)19-14(20)13-10(17)5-9(16)6-11(13)18/h1-6H,7H2,(H,19,20)
InChIKeyPOGBDZUBUHRXRO-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 54.25
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

2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107706038
N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide
CID 114309787
N-[2-(bromomethyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 114309702
N-[2-(bromomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113274430
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537
N-[2-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114309814
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide (CID 114309616) is N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide is O=C(Nc1ccccc1CBr)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide?
The InChIKey is POGBDZUBUHRXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-7-8-3-1-2-4-12(8)19-14(20)13-10(17)5-9(16)6-11(13)18/h1-6H,7H2,(H,19,20).
What are the key properties of N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide?
N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide has a molecular weight of 344.13 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 114309616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).