N-acetyl-4-bromobenzamide

C9H8BrNO2 — CID 12550335

IUPACN-acetyl-4-bromobenzamide
SMILESCC(=O)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c1-6(12)11-9(13)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13)
InChIKeyAIQBXGCKTQAMDH-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.73
Rot. Bonds1

About N-acetyl-4-bromobenzamide

N-acetyl-4-bromobenzamide (PubChem CID 12550335) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is N-acetyl-4-bromobenzamide.

Molecular Properties

Compound NameN-acetyl-4-bromobenzamide
PubChem CID12550335
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC NameN-acetyl-4-bromobenzamide
SMILESCC(=O)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c1-6(12)11-9(13)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13)
InChIKeyAIQBXGCKTQAMDH-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-bromobenzamide?
The IUPAC name of N-acetyl-4-bromobenzamide (CID 12550335) is N-acetyl-4-bromobenzamide.
What is the SMILES notation for N-acetyl-4-bromobenzamide?
The canonical SMILES for N-acetyl-4-bromobenzamide is CC(=O)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-acetyl-4-bromobenzamide?
The InChIKey is AIQBXGCKTQAMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c1-6(12)11-9(13)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of N-acetyl-4-bromobenzamide?
N-acetyl-4-bromobenzamide has a molecular weight of 242.07 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-bromobenzamide is sourced from PubChem (CID 12550335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).