3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide

C13H6Br2Cl2FNO — CID 107953841

IUPAC3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H6Br2Cl2FNO/c14-7-4-5-9(11(17)10(7)16)19-13(20)6-2-1-3-8(15)12(6)18/h1-5H,(H,19,20)
InChIKeyGDTHVFBMNLYQSR-UHFFFAOYSA-N
MW441.91 g/mol
LogP5.91
Rot. Bonds2

About 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide

3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide (PubChem CID 107953841) has the molecular formula C13H6Br2Cl2FNO and a molecular weight of 441.91 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
PubChem CID107953841
Molecular FormulaC13H6Br2Cl2FNO
Molecular Weight441.91 g/mol
Exact Mass438.82
IUPAC Name3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H6Br2Cl2FNO/c14-7-4-5-9(11(17)10(7)16)19-13(20)6-2-1-3-8(15)12(6)18/h1-5H,(H,19,20)
InChIKeyGDTHVFBMNLYQSR-UHFFFAOYSA-N
XLogP5.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.91
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107949226
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658
N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide
CID 107791061
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide (CID 107953841) is 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)c(Cl)c1Cl)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide?
The InChIKey is GDTHVFBMNLYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2Cl2FNO/c14-7-4-5-9(11(17)10(7)16)19-13(20)6-2-1-3-8(15)12(6)18/h1-5H,(H,19,20).
What are the key properties of 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide?
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide has a molecular weight of 441.91 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 107953841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).