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

C12H16BrNO3 — CID 63052140

IUPAC2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(CO)cc1Br
InChIInChI=1S/C12H16BrNO3/c1-3-14-12(16)8(2)17-11-5-4-9(7-15)6-10(11)13/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyQUFCDYYCCUUMJJ-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.84
Rot. Bonds5

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

2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide (PubChem CID 63052140) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
PubChem CID63052140
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(CO)cc1Br
InChIInChI=1S/C12H16BrNO3/c1-3-14-12(16)8(2)17-11-5-4-9(7-15)6-10(11)13/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyQUFCDYYCCUUMJJ-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 63052142
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43117629
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylpropanamide
CID 63045151
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide (CID 63052140) is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc(CO)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide?
The InChIKey is QUFCDYYCCUUMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-3-14-12(16)8(2)17-11-5-4-9(7-15)6-10(11)13/h4-6,8,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide?
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide has a molecular weight of 302.17 g/mol, XLogP of 1.84, 5 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-ethylpropanamide is sourced from PubChem (CID 63052140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).