3-bromo-5-chlorobenzamide

C7H5BrClNO — CID 53417471

IUPAC3-bromo-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClNO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
InChIKeyIBHVBQAJVLFFCH-UHFFFAOYSA-N
MW234.48 g/mol
LogP2.20
Rot. Bonds1

About 3-bromo-5-chlorobenzamide

3-bromo-5-chlorobenzamide (PubChem CID 53417471) has the molecular formula C7H5BrClNO and a molecular weight of 234.48 g/mol. Its IUPAC name is 3-bromo-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-5-chlorobenzamide
PubChem CID53417471
Molecular FormulaC7H5BrClNO
Molecular Weight234.48 g/mol
Exact Mass232.92
IUPAC Name3-bromo-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClNO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
InChIKeyIBHVBQAJVLFFCH-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine
CID 158546164
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-5-chlorobenzoyl chloride
CID 50998129
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
1-(3-bromo-5-chlorophenyl)-3-methylbut-2-en-1-one
CID 107944599
3-(3-bromo-5-chlorophenyl)-3-oxopropanenitrile
CID 98041795
(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
CID 107957051
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950076
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114020153
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
CID 114019051

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chlorobenzamide?
The IUPAC name of 3-bromo-5-chlorobenzamide (CID 53417471) is 3-bromo-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-5-chlorobenzamide?
The canonical SMILES for 3-bromo-5-chlorobenzamide is NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chlorobenzamide?
The InChIKey is IBHVBQAJVLFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11).
What are the key properties of 3-bromo-5-chlorobenzamide?
3-bromo-5-chlorobenzamide has a molecular weight of 234.48 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chlorobenzamide is sourced from PubChem (CID 53417471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).