2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide

C13H18BrNO2 — CID 2932428

IUPAC2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-2-17-9-3-8-15-13(16)10-11-4-6-12(14)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyYSSQGHPNGFVWOG-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide

2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide (PubChem CID 2932428) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide
PubChem CID2932428
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-2-17-9-3-8-15-13(16)10-11-4-6-12(14)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyYSSQGHPNGFVWOG-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide (CID 2932428) is 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is YSSQGHPNGFVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-17-9-3-8-15-13(16)10-11-4-6-12(14)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide?
2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 2932428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).