4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide

C12H16BrNO3 — CID 103830425

IUPAC4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
SMILESCCOCCCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H16BrNO3/c1-2-17-7-3-6-14-12(16)9-4-5-10(13)11(15)8-9/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyIQXWXYBBAZJWOA-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.31
Rot. Bonds6

About 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide

4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide (PubChem CID 103830425) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
PubChem CID103830425
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
SMILESCCOCCCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H16BrNO3/c1-2-17-7-3-6-14-12(16)9-4-5-10(13)11(15)8-9/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyIQXWXYBBAZJWOA-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate
CID 103830570
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
CID 81433232
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide (CID 103830425) is 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide is CCOCCCNC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide?
The InChIKey is IQXWXYBBAZJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-2-17-7-3-6-14-12(16)9-4-5-10(13)11(15)8-9/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide?
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide has a molecular weight of 302.17 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide is sourced from PubChem (CID 103830425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).