2-bromo-N-(3-ethoxypropyl)benzamide

C12H16BrNO2 — CID 2179046

IUPAC2-bromo-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-2-16-9-5-8-14-12(15)10-6-3-4-7-11(10)13/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15)
InChIKeyRORLCXPGSVWROA-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.61
Rot. Bonds6

About 2-bromo-N-(3-ethoxypropyl)benzamide

2-bromo-N-(3-ethoxypropyl)benzamide (PubChem CID 2179046) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethoxypropyl)benzamide
PubChem CID2179046
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-2-16-9-5-8-14-12(15)10-6-3-4-7-11(10)13/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15)
InChIKeyRORLCXPGSVWROA-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.61
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-bromo-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 2-bromo-N-(3-ethoxypropyl)benzamide (CID 2179046) is 2-bromo-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-ethoxypropyl)benzamide?
The InChIKey is RORLCXPGSVWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-16-9-5-8-14-12(15)10-6-3-4-7-11(10)13/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(3-ethoxypropyl)benzamide?
2-bromo-N-(3-ethoxypropyl)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 2179046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).