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

C13H18BrNO — CID 2905249

IUPAC2-(4-bromophenyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-3-4-10(2)15-13(16)9-11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeySYJNQVVJDWSJRA-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.30
Rot. Bonds5

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

2-(4-bromophenyl)-N-pentan-2-ylacetamide (PubChem CID 2905249) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-pentan-2-ylacetamide
PubChem CID2905249
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(4-bromophenyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-3-4-10(2)15-13(16)9-11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeySYJNQVVJDWSJRA-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-pentan-2-ylacetamide (CID 2905249) is 2-(4-bromophenyl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-pentan-2-ylacetamide?
The InChIKey is SYJNQVVJDWSJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-4-10(2)15-13(16)9-11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-bromophenyl)-N-pentan-2-ylacetamide?
2-(4-bromophenyl)-N-pentan-2-ylacetamide has a molecular weight of 284.20 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 2905249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).