5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide

C11H9BrClNO — CID 114389823

IUPAC5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
SMILESC#CC(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H9BrClNO/c1-3-7(2)14-11(15)9-6-8(12)4-5-10(9)13/h1,4-7H,2H3,(H,14,15)
InChIKeyQUCPSRVNEYLWKA-UHFFFAOYSA-N
MW286.56 g/mol
LogP2.85
Rot. Bonds2

About 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide

5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide (PubChem CID 114389823) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
PubChem CID114389823
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
SMILESC#CC(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H9BrClNO/c1-3-7(2)14-11(15)9-6-8(12)4-5-10(9)13/h1,4-7H,2H3,(H,14,15)
InChIKeyQUCPSRVNEYLWKA-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
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5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
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5-bromo-N-butan-2-yl-2-chlorobenzamide
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5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
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5-bromo-N-but-3-yn-2-yl-2-chloropyridine-4-carboxamide
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5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
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N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide (CID 114389823) is 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide is C#CC(C)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide?
The InChIKey is QUCPSRVNEYLWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-3-7(2)14-11(15)9-6-8(12)4-5-10(9)13/h1,4-7H,2H3,(H,14,15).
What are the key properties of 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide?
5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide has a molecular weight of 286.56 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide is sourced from PubChem (CID 114389823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).