N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide

C11H12BrNO3 — CID 170403612

IUPACN-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1c(O)cc(Br)cc1OC1CC1
InChIInChI=1S/C11H12BrNO3/c1-6(14)13-11-9(15)4-7(12)5-10(11)16-8-2-3-8/h4-5,8,15H,2-3H2,1H3,(H,13,14)
InChIKeyANDGJDICPJQYBN-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.65
Rot. Bonds3

About N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide

N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide (PubChem CID 170403612) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide
PubChem CID170403612
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC NameN-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1c(O)cc(Br)cc1OC1CC1
InChIInChI=1S/C11H12BrNO3/c1-6(14)13-11-9(15)4-7(12)5-10(11)16-8-2-3-8/h4-5,8,15H,2-3H2,1H3,(H,13,14)
InChIKeyANDGJDICPJQYBN-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
1-[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]ethanone
CID 114341240
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
N-(3-cyclopropyloxy-4-ethylphenyl)acetamide
CID 59026368
1-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-2-one
CID 118256250
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
[4-[(2-acetamido-3,5-dibromophenyl)methyl-acetylamino]cyclohexyl] acetate
CID 91691671
dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate
CID 160914962
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
4-bromo-2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 114907573
3-amino-3-(5-bromo-2-cyclopropyloxyphenyl)propanoic acid
CID 117483188
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide (CID 170403612) is N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide is CC(=O)Nc1c(O)cc(Br)cc1OC1CC1.
What is the InChIKey of N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide?
The InChIKey is ANDGJDICPJQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-6(14)13-11-9(15)4-7(12)5-10(11)16-8-2-3-8/h4-5,8,15H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide?
N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide has a molecular weight of 286.12 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide is sourced from PubChem (CID 170403612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).