2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide

C12H16BrNO2 — CID 119094650

IUPAC2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide
SMILESCC(C)CC(Br)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H16BrNO2/c1-8(2)7-9(13)12(16)14-10-5-3-4-6-11(10)15/h3-6,8-9,15H,7H2,1-2H3,(H,14,16)
InChIKeyMGPJDMVGZXWLGH-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.14
Rot. Bonds4

About 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide

2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide (PubChem CID 119094650) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide
PubChem CID119094650
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide
SMILESCC(C)CC(Br)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H16BrNO2/c1-8(2)7-9(13)12(16)14-10-5-3-4-6-11(10)15/h3-6,8-9,15H,7H2,1-2H3,(H,14,16)
InChIKeyMGPJDMVGZXWLGH-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
CID 825309
2-ethyl-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 135170128
2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
CID 14234666
2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 83768320
2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate
CID 129206856
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
N-(2-hydroxyphenyl)-2-(2-methylpropoxy)acetamide
CID 143482157
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
CID 143326178
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
2-(2-bromobutanoylamino)benzamide
CID 23323526

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide?
The IUPAC name of 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide (CID 119094650) is 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide is CC(C)CC(Br)C(=O)Nc1ccccc1O.
What is the InChIKey of 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide?
The InChIKey is MGPJDMVGZXWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)7-9(13)12(16)14-10-5-3-4-6-11(10)15/h3-6,8-9,15H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide?
2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide has a molecular weight of 286.17 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 119094650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).