2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide

C12H16BrNO2 — CID 110005910

IUPAC2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1cc(Br)ccc1CC(=O)NC(C)CO
InChIInChI=1S/C12H16BrNO2/c1-8-5-11(13)4-3-10(8)6-12(16)14-9(2)7-15/h3-5,9,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyVGFYJHXDILTAEQ-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide

2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 110005910) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID110005910
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1cc(Br)ccc1CC(=O)NC(C)CO
InChIInChI=1S/C12H16BrNO2/c1-8-5-11(13)4-3-10(8)6-12(16)14-9(2)7-15/h3-5,9,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyVGFYJHXDILTAEQ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-[[2-(4-bromo-2-methylphenyl)acetyl]amino]-3-methylpentanoic acid
CID 120517444
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 110004740
2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 86798561
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
CID 114310589
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide (CID 110005910) is 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide is Cc1cc(Br)ccc1CC(=O)NC(C)CO.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is VGFYJHXDILTAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-5-11(13)4-3-10(8)6-12(16)14-9(2)7-15/h3-5,9,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 286.17 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 110005910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).