N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide

C14H10BrF2NO — CID 113274477

IUPACN-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccccc1CBr)c1cc(F)ccc1F
InChIInChI=1S/C14H10BrF2NO/c15-8-9-3-1-2-4-13(9)18-14(19)11-7-10(16)5-6-12(11)17/h1-7H,8H2,(H,18,19)
InChIKeyIODZHRJLMUOHHJ-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.11
Rot. Bonds3

About N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide

N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide (PubChem CID 113274477) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
PubChem CID113274477
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccccc1CBr)c1cc(F)ccc1F
InChIInChI=1S/C14H10BrF2NO/c15-8-9-3-1-2-4-13(9)18-14(19)11-7-10(16)5-6-12(11)17/h1-7H,8H2,(H,18,19)
InChIKeyIODZHRJLMUOHHJ-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.11
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)phenyl]-2,4,6-trifluorobenzamide
CID 114309616
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
N-(2-ethylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298874
N-[2-(bromomethyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 114309702
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 55700706
N-[2-(aminomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299411
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43041819
[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate
CID 126609860
2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745109
2-amino-5-fluoro-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102903161
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide (CID 113274477) is N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide is O=C(Nc1ccccc1CBr)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide?
The InChIKey is IODZHRJLMUOHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-8-9-3-1-2-4-13(9)18-14(19)11-7-10(16)5-6-12(11)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide?
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide has a molecular weight of 326.14 g/mol, XLogP of 4.11, 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]-2,5-difluorobenzamide is sourced from PubChem (CID 113274477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).