N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide

C13H19BrN2O2 — CID 104872326

IUPACN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H19BrN2O2/c1-8(2)5-10(7-15)16-13(18)11-6-9(14)3-4-12(11)17/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18)
InChIKeyKAYOXLZWYNUEIJ-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.26
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide (PubChem CID 104872326) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
PubChem CID104872326
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H19BrN2O2/c1-8(2)5-10(7-15)16-13(18)11-6-9(14)3-4-12(11)17/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18)
InChIKeyKAYOXLZWYNUEIJ-UHFFFAOYSA-N
XLogP2.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
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5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
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N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
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5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide (CID 104872326) is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide is CC(C)CC(CN)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
The InChIKey is KAYOXLZWYNUEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8(2)5-10(7-15)16-13(18)11-6-9(14)3-4-12(11)17/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide has a molecular weight of 315.21 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 104872326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).