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

C14H10BrF2NO — CID 114310878

IUPACN-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(CBr)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF2NO/c15-8-9-4-6-10(7-5-9)18-14(19)13-11(16)2-1-3-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyJQMYXKYBGTYJCS-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.11
Rot. Bonds3

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

N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide (PubChem CID 114310878) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
PubChem CID114310878
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(CBr)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF2NO/c15-8-9-4-6-10(7-5-9)18-14(19)13-11(16)2-1-3-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyJQMYXKYBGTYJCS-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-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82819010
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2,6-difluoro-N-[4-[[2-(trifluoromethyl)phenyl]methyl]phenyl]benzamide
CID 90393724
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
N-[[3-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
CID 65433013
2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide
CID 58110509
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide (CID 114310878) is N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide is O=C(Nc1ccc(CBr)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide?
The InChIKey is JQMYXKYBGTYJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-8-9-4-6-10(7-5-9)18-14(19)13-11(16)2-1-3-12(13)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide?
N-[4-(bromomethyl)phenyl]-2,6-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-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 114310878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).