3-bromo-N-(5-hydroxypentyl)benzamide

C12H16BrNO2 — CID 107317897

IUPAC3-bromo-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c13-11-6-4-5-10(9-11)12(16)14-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8H2,(H,14,16)
InChIKeyGVROACJNSJAEGA-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.34
Rot. Bonds6

About 3-bromo-N-(5-hydroxypentyl)benzamide

3-bromo-N-(5-hydroxypentyl)benzamide (PubChem CID 107317897) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-hydroxypentyl)benzamide
PubChem CID107317897
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c13-11-6-4-5-10(9-11)12(16)14-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8H2,(H,14,16)
InChIKeyGVROACJNSJAEGA-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-dodecylbenzamide
CID 603918
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
methyl 3-(6-hydroxyhexylcarbamoyl)benzoate
CID 108799701
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486103
4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
CID 60622543
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
3-bromo-N-[3-[(N'-methyl-N-pentylcarbamimidoyl)amino]propyl]benzamide
CID 111128775
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
N-[3-(4-aminobutanoylamino)propyl]-3-bromobenzamide
CID 119312115

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 3-bromo-N-(5-hydroxypentyl)benzamide (CID 107317897) is 3-bromo-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 3-bromo-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-hydroxypentyl)benzamide?
The InChIKey is GVROACJNSJAEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-6-4-5-10(9-11)12(16)14-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8H2,(H,14,16).
What are the key properties of 3-bromo-N-(5-hydroxypentyl)benzamide?
3-bromo-N-(5-hydroxypentyl)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107317897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).