5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide

C13H6BrCl3FNO — CID 28547728

IUPAC5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrCl3FNO/c14-6-1-2-11(18)7(3-6)13(20)19-12-5-9(16)8(15)4-10(12)17/h1-5H,(H,19,20)
InChIKeyZRBXAASIJBTQCH-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.80
Rot. Bonds2

About 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide

5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 28547728) has the molecular formula C13H6BrCl3FNO and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID28547728
Molecular FormulaC13H6BrCl3FNO
Molecular Weight397.46 g/mol
Exact Mass394.87
IUPAC Name5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrCl3FNO/c14-6-1-2-11(18)7(3-6)13(20)19-12-5-9(16)8(15)4-10(12)17/h1-5H,(H,19,20)
InChIKeyZRBXAASIJBTQCH-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
CID 30804369
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide (CID 28547728) is 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is ZRBXAASIJBTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl3FNO/c14-6-1-2-11(18)7(3-6)13(20)19-12-5-9(16)8(15)4-10(12)17/h1-5H,(H,19,20).
What are the key properties of 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide?
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 28547728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).