N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide

C13H7BrCl2FNO — CID 28938547

IUPACN-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7BrCl2FNO/c14-11-6-10(17)1-2-12(11)18-13(19)7-3-8(15)5-9(16)4-7/h1-6H,(H,18,19)
InChIKeyKULLITDLMFAWAY-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide

N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide (PubChem CID 28938547) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
PubChem CID28938547
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC NameN-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7BrCl2FNO/c14-11-6-10(17)1-2-12(11)18-13(19)7-3-8(15)5-9(16)4-7/h1-6H,(H,18,19)
InChIKeyKULLITDLMFAWAY-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114820853
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide (CID 28938547) is N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide is O=C(Nc1ccc(F)cc1Br)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide?
The InChIKey is KULLITDLMFAWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-11-6-10(17)1-2-12(11)18-13(19)7-3-8(15)5-9(16)4-7/h1-6H,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide?
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide has a molecular weight of 363.01 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide is sourced from PubChem (CID 28938547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).