3-bromo-N-propan-2-ylbenzamide

C10H12BrNO — CID 669311

IUPAC3-bromo-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)
InChIKeyFRETYNHHZZBJMZ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.59
Rot. Bonds2

About 3-bromo-N-propan-2-ylbenzamide

3-bromo-N-propan-2-ylbenzamide (PubChem CID 669311) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-bromo-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-propan-2-ylbenzamide
PubChem CID669311
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-bromo-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)
InChIKeyFRETYNHHZZBJMZ-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-N-propan-2-ylbenzamide (CID 669311) is 3-bromo-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-propan-2-ylbenzamide?
The InChIKey is FRETYNHHZZBJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13).
What are the key properties of 3-bromo-N-propan-2-ylbenzamide?
3-bromo-N-propan-2-ylbenzamide has a molecular weight of 242.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propan-2-ylbenzamide is sourced from PubChem (CID 669311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).