2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide

C11H14BrNO4 — CID 66174959

IUPAC2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCC(O)CO
InChIInChI=1S/C11H14BrNO4/c12-8-2-1-3-10(4-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16)
InChIKeyYZNCEAZSXWVTJL-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.30
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide

2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 66174959) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
PubChem CID66174959
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCC(O)CO
InChIInChI=1S/C11H14BrNO4/c12-8-2-1-3-10(4-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16)
InChIKeyYZNCEAZSXWVTJL-UHFFFAOYSA-N
XLogP0.30
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol
CID 66169524
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350
2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
CID 42280281
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide (CID 66174959) is 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide is O=C(COc1cccc(Br)c1)NCC(O)CO.
What is the InChIKey of 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is YZNCEAZSXWVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c12-8-2-1-3-10(4-8)17-7-11(16)13-5-9(15)6-14/h1-4,9,14-15H,5-7H2,(H,13,16).
What are the key properties of 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide?
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 304.14 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 66174959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).