3-bromo-2,6-dichloro-5-fluorobenzamide

C7H3BrCl2FNO — CID 141400879

IUPAC3-bromo-2,6-dichloro-5-fluorobenzamide
SMILESNC(=O)c1c(Cl)c(F)cc(Br)c1Cl
InChIInChI=1S/C7H3BrCl2FNO/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,(H2,12,13)
InChIKeySVAZSIJMZJISLI-UHFFFAOYSA-N
MW286.92 g/mol
LogP2.99
Rot. Bonds1

About 3-bromo-2,6-dichloro-5-fluorobenzamide

3-bromo-2,6-dichloro-5-fluorobenzamide (PubChem CID 141400879) has the molecular formula C7H3BrCl2FNO and a molecular weight of 286.92 g/mol. Its IUPAC name is 3-bromo-2,6-dichloro-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-2,6-dichloro-5-fluorobenzamide
PubChem CID141400879
Molecular FormulaC7H3BrCl2FNO
Molecular Weight286.92 g/mol
Exact Mass284.88
IUPAC Name3-bromo-2,6-dichloro-5-fluorobenzamide
SMILESNC(=O)c1c(Cl)c(F)cc(Br)c1Cl
InChIInChI=1S/C7H3BrCl2FNO/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,(H2,12,13)
InChIKeySVAZSIJMZJISLI-UHFFFAOYSA-N
XLogP2.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.92
LogP ≤ 52.99
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-2-chloro-3-fluoro-6-hydroxybenzoic acid
CID 83903185
4-chloro-2,6-difluorobenzamide
CID 22478130
3-bromo-4-chloro-5-fluoroaniline
CID 131585188
4-bromo-2,5-difluorobenzamide
CID 53418047
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
2,5-dichloro-3-fluorobenzamide
CID 121228309
3-bromo-2,5-dichlorobenzamide
CID 131599127
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248
2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
CID 163279434
2,3-dichloro-4-fluoro-6-phenylbenzamide
CID 118433439
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
3-bromo-2-chloro-6-fluoro-5-methylbenzoic acid
CID 164895101

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dichloro-5-fluorobenzamide?
The IUPAC name of 3-bromo-2,6-dichloro-5-fluorobenzamide (CID 141400879) is 3-bromo-2,6-dichloro-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-2,6-dichloro-5-fluorobenzamide?
The canonical SMILES for 3-bromo-2,6-dichloro-5-fluorobenzamide is NC(=O)c1c(Cl)c(F)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2,6-dichloro-5-fluorobenzamide?
The InChIKey is SVAZSIJMZJISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2FNO/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,(H2,12,13).
What are the key properties of 3-bromo-2,6-dichloro-5-fluorobenzamide?
3-bromo-2,6-dichloro-5-fluorobenzamide has a molecular weight of 286.92 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dichloro-5-fluorobenzamide is sourced from PubChem (CID 141400879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).