N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide

C11H14BrNO3 — CID 103430147

IUPACN-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)O)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-11(2,15)10(14)13-7-4-5-9(16-3)8(12)6-7/h4-6,15H,1-3H3,(H,13,14)
InChIKeyJKTYOKOZMFRTRZ-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.17
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide

N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 103430147) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID103430147
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)O)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-11(2,15)10(14)13-7-4-5-9(16-3)8(12)6-7/h4-6,15H,1-3H3,(H,13,14)
InChIKeyJKTYOKOZMFRTRZ-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
CID 79813242
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
O-methyl 2-(3-bromo-4-methoxyanilino)-2-oxoethanethioate
CID 139546924
N-(3-bromo-4-methoxyphenyl)-1-cyanoformamide
CID 115171833
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 115178909
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
2-amino-3-(3-bromo-4-methoxyanilino)-3-oxopropanoic acid
CID 115179084
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
methyl 2-(3-bromo-4-methoxyanilino)-2-oxoacetate;methyl 2-(3-bromo-4-methoxyanilino)-2-sulfanylideneacetate
CID 159616261

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide (CID 103430147) is N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)O)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is JKTYOKOZMFRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(2,15)10(14)13-7-4-5-9(16-3)8(12)6-7/h4-6,15H,1-3H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide?
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 288.14 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 103430147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).