2-(4-bromophenyl)-N-hexylacetamide

C14H20BrNO — CID 3140494

IUPAC2-(4-bromophenyl)-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-2-3-4-5-10-16-14(17)11-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyPRKPYKAUKGVBSK-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.69
Rot. Bonds7

About 2-(4-bromophenyl)-N-hexylacetamide

2-(4-bromophenyl)-N-hexylacetamide (PubChem CID 3140494) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-hexylacetamide
PubChem CID3140494
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(4-bromophenyl)-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-2-3-4-5-10-16-14(17)11-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyPRKPYKAUKGVBSK-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-hexylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-hexylacetamide (CID 3140494) is 2-(4-bromophenyl)-N-hexylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-hexylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-hexylacetamide is CCCCCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-hexylacetamide?
The InChIKey is PRKPYKAUKGVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-3-4-5-10-16-14(17)11-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-N-hexylacetamide?
2-(4-bromophenyl)-N-hexylacetamide has a molecular weight of 298.22 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-hexylacetamide is sourced from PubChem (CID 3140494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).