2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide

C11H14BrNO3 — CID 63052142

IUPAC2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CO)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-7(11(15)13-2)16-10-4-3-8(6-14)5-9(10)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyBVRZKZJEYBUDHY-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.45
Rot. Bonds4

About 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide

2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide (PubChem CID 63052142) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
PubChem CID63052142
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CO)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-7(11(15)13-2)16-10-4-3-8(6-14)5-9(10)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyBVRZKZJEYBUDHY-UHFFFAOYSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
CID 63052140
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylpropanamide
CID 63045151
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
CID 61389158
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
2-[4-(2-aminopropyl)-2-bromophenoxy]propanoic acid
CID 63051846
(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide (CID 63052142) is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc(CO)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide?
The InChIKey is BVRZKZJEYBUDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(11(15)13-2)16-10-4-3-8(6-14)5-9(10)12/h3-5,7,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide?
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide has a molecular weight of 288.14 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 63052142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).