2-(4-bromophenyl)-N-propan-2-ylacetamide

C11H14BrNO — CID 669886

IUPAC2-(4-bromophenyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-8(2)13-11(14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyLKISRCMQMZLEHK-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-bromophenyl)-N-propan-2-ylacetamide

2-(4-bromophenyl)-N-propan-2-ylacetamide (PubChem CID 669886) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-propan-2-ylacetamide
PubChem CID669886
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(4-bromophenyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-8(2)13-11(14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyLKISRCMQMZLEHK-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-N-propan-2-ylacetamide 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 2-(4-bromophenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-propan-2-ylacetamide (CID 669886) is 2-(4-bromophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-propan-2-ylacetamide?
The InChIKey is LKISRCMQMZLEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(2)13-11(14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-bromophenyl)-N-propan-2-ylacetamide?
2-(4-bromophenyl)-N-propan-2-ylacetamide has a molecular weight of 256.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 669886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).