4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide

C14H9BrClF2NO — CID 114293310

IUPAC4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9BrClF2NO/c15-9-5-11(17)13(12(18)6-9)14(20)19-10-3-1-2-8(4-10)7-16/h1-6H,7H2,(H,19,20)
InChIKeySSESDAFIKYJEMT-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.72
Rot. Bonds3

About 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide

4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide (PubChem CID 114293310) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide
PubChem CID114293310
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC Name4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9BrClF2NO/c15-9-5-11(17)13(12(18)6-9)14(20)19-10-3-1-2-8(4-10)7-16/h1-6H,7H2,(H,19,20)
InChIKeySSESDAFIKYJEMT-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.72
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

4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
CID 113270977
2,4,6-trifluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 65100821
N-[3-(chloromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114293190
4-chloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzamide
CID 114025222
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide (CID 114293310) is 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide is O=C(Nc1cccc(CCl)c1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide?
The InChIKey is SSESDAFIKYJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c15-9-5-11(17)13(12(18)6-9)14(20)19-10-3-1-2-8(4-10)7-16/h1-6H,7H2,(H,19,20).
What are the key properties of 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide?
4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide has a molecular weight of 360.59 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 114293310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).