5-bromo-2-hydroxy-N-pentan-3-ylbenzamide

C12H16BrNO2 — CID 103600405

IUPAC5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO2/c1-3-9(4-2)14-12(16)10-7-8(13)5-6-11(10)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyLCNWBKJYRUTZHC-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide

5-bromo-2-hydroxy-N-pentan-3-ylbenzamide (PubChem CID 103600405) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
PubChem CID103600405
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO2/c1-3-9(4-2)14-12(16)10-7-8(13)5-6-11(10)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyLCNWBKJYRUTZHC-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872326
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide (CID 103600405) is 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide?
The InChIKey is LCNWBKJYRUTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-9(4-2)14-12(16)10-7-8(13)5-6-11(10)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide?
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide has a molecular weight of 286.17 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-pentan-3-ylbenzamide is sourced from PubChem (CID 103600405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).