N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide

C14H9Br2ClFNO — CID 107610811

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C14H9Br2ClFNO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(16)5-10(18)6-12(13)17/h1-6H,7H2,(H,19,20)
InChIKeyPZCHIYLDYBQDOJ-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.39
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide (PubChem CID 107610811) has the molecular formula C14H9Br2ClFNO and a molecular weight of 421.49 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
PubChem CID107610811
Molecular FormulaC14H9Br2ClFNO
Molecular Weight421.49 g/mol
Exact Mass418.87
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1ccc(CBr)cc1
InChIInChI=1S/C14H9Br2ClFNO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(16)5-10(18)6-12(13)17/h1-6H,7H2,(H,19,20)
InChIKeyPZCHIYLDYBQDOJ-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.39
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-4,6-difluorophenyl)-4-(bromomethyl)benzamide
CID 102850915
N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859
N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
CID 103867738
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103867824

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide (CID 107610811) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1ccc(CBr)cc1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide?
The InChIKey is PZCHIYLDYBQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClFNO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(16)5-10(18)6-12(13)17/h1-6H,7H2,(H,19,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide has a molecular weight of 421.49 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide is sourced from PubChem (CID 107610811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).