N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide

C14H9Br2F2NO — CID 102850915

IUPACN-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C14H9Br2F2NO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(16)5-10(17)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeyHSNKNQHHKBDCSP-UHFFFAOYSA-N
MW405.04 g/mol
LogP4.87
Rot. Bonds3

About N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide

N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide (PubChem CID 102850915) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
PubChem CID102850915
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C14H9Br2F2NO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(16)5-10(17)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeyHSNKNQHHKBDCSP-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.04
LogP ≤ 54.87
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-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
CID 81471642
N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859
N-(2-bromo-4,6-difluorophenyl)furan-2-carboxamide
CID 1244098
4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
CID 102852150
N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 43237002
N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
CID 43090996
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65468967
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide (CID 102850915) is N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide is O=C(Nc1c(F)cc(F)cc1Br)c1ccc(CBr)cc1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide?
The InChIKey is HSNKNQHHKBDCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(16)5-10(17)6-12(13)18/h1-6H,7H2,(H,19,20).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide?
N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide has a molecular weight of 405.04 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide is sourced from PubChem (CID 102850915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).