3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide

C13H19BrN2O2 — CID 106289346

IUPAC3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-6-13(2,18)8-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7,18H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyYZHHTQQUNKQBBV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.31
Rot. Bonds5

About 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide

3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide (PubChem CID 106289346) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
PubChem CID106289346
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-6-13(2,18)8-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7,18H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyYZHHTQQUNKQBBV-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
CID 61139412
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
3-amino-4-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61092685
3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 106289286
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide (CID 106289346) is 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide is CCCC(C)(O)CNC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide?
The InChIKey is YZHHTQQUNKQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-6-13(2,18)8-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7,18H,3,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide?
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide has a molecular weight of 315.21 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 106289346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).