2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide

C13H18BrNO3 — CID 86798561

IUPAC2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
SMILESCc1cc(Br)ccc1CC(=O)NC(C)(CO)CO
InChIInChI=1S/C13H18BrNO3/c1-9-5-11(14)4-3-10(9)6-12(18)15-13(2,7-16)8-17/h3-5,16-17H,6-8H2,1-2H3,(H,15,18)
InChIKeyIYJQVFKDIXZWTB-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.16
Rot. Bonds5

About 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide

2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 86798561) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
PubChem CID86798561
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
SMILESCc1cc(Br)ccc1CC(=O)NC(C)(CO)CO
InChIInChI=1S/C13H18BrNO3/c1-9-5-11(14)4-3-10(9)6-12(18)15-13(2,7-16)8-17/h3-5,16-17H,6-8H2,1-2H3,(H,15,18)
InChIKeyIYJQVFKDIXZWTB-UHFFFAOYSA-N
XLogP1.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 110004740
3-(4-bromo-2-fluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
CID 86798562
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110005910
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
1-(4-bromo-2-methylphenyl)-3-sulfanylpropan-2-one
CID 58139329
2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002590
4-[(4-bromo-2-methylphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122127085
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
7-[[2-(4-bromo-2-methylphenyl)acetyl]amino]heptanoic acid
CID 120524083

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide (CID 86798561) is 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide is Cc1cc(Br)ccc1CC(=O)NC(C)(CO)CO.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is IYJQVFKDIXZWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-9-5-11(14)4-3-10(9)6-12(18)15-13(2,7-16)8-17/h3-5,16-17H,6-8H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide?
2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 316.19 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 86798561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).