3-bromo-2,5-dichlorobenzamide

C7H4BrCl2NO — CID 131599127

IUPAC3-bromo-2,5-dichlorobenzamide
SMILESNC(=O)c1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C7H4BrCl2NO/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,(H2,11,12)
InChIKeyAHWZOSTXRFNDGS-UHFFFAOYSA-N
MW268.93 g/mol
LogP2.85
Rot. Bonds1

About 3-bromo-2,5-dichlorobenzamide

3-bromo-2,5-dichlorobenzamide (PubChem CID 131599127) has the molecular formula C7H4BrCl2NO and a molecular weight of 268.93 g/mol. Its IUPAC name is 3-bromo-2,5-dichlorobenzamide.

Molecular Properties

Compound Name3-bromo-2,5-dichlorobenzamide
PubChem CID131599127
Molecular FormulaC7H4BrCl2NO
Molecular Weight268.93 g/mol
Exact Mass266.89
IUPAC Name3-bromo-2,5-dichlorobenzamide
SMILESNC(=O)c1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C7H4BrCl2NO/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,(H2,11,12)
InChIKeyAHWZOSTXRFNDGS-UHFFFAOYSA-N
XLogP2.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.93
LogP ≤ 52.85
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

3-bromo-2-chloro-5-methylbenzamide
CID 131538692
2,5-dichloro-3-fluorobenzamide
CID 121228309
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 141056369
3-bromo-2,6-dichloro-5-fluorobenzamide
CID 141400879
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
3-bromo-5-chlorobenzamide
CID 53417471
5-amino-2,3-dichlorobenzamide
CID 107183127
5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide
CID 175922487
2-carbamoyl-5-chlorobenzoic acid
CID 57087443

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dichlorobenzamide?
The IUPAC name of 3-bromo-2,5-dichlorobenzamide (CID 131599127) is 3-bromo-2,5-dichlorobenzamide.
What is the SMILES notation for 3-bromo-2,5-dichlorobenzamide?
The canonical SMILES for 3-bromo-2,5-dichlorobenzamide is NC(=O)c1cc(Cl)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2,5-dichlorobenzamide?
The InChIKey is AHWZOSTXRFNDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2NO/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,(H2,11,12).
What are the key properties of 3-bromo-2,5-dichlorobenzamide?
3-bromo-2,5-dichlorobenzamide has a molecular weight of 268.93 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dichlorobenzamide is sourced from PubChem (CID 131599127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).