2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide

C12H16BrNO3 — CID 115577661

IUPAC2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
SMILESCCC(O)CNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO3/c1-2-10(15)7-14-12(16)8-17-11-5-3-4-9(13)6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyKXVYRSTXJSBYTC-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.72
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide

2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide (PubChem CID 115577661) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
PubChem CID115577661
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
SMILESCCC(O)CNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO3/c1-2-10(15)7-14-12(16)8-17-11-5-3-4-9(13)6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyKXVYRSTXJSBYTC-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
CID 78773270

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide (CID 115577661) is 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide is CCC(O)CNC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide?
The InChIKey is KXVYRSTXJSBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-2-10(15)7-14-12(16)8-17-11-5-3-4-9(13)6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide?
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide has a molecular weight of 302.17 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide is sourced from PubChem (CID 115577661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).