N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide

C11H14BrNO3 — CID 82124397

IUPACN-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide
SMILESCOc1ccc(Br)cc1C(O)CNC(C)=O
InChIInChI=1S/C11H14BrNO3/c1-7(14)13-6-10(15)9-5-8(12)3-4-11(9)16-2/h3-5,10,15H,6H2,1-2H3,(H,13,14)
InChIKeyAJEPPXULWKMZNJ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.63
Rot. Bonds4

About N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide

N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide (PubChem CID 82124397) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide
PubChem CID82124397
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide
SMILESCOc1ccc(Br)cc1C(O)CNC(C)=O
InChIInChI=1S/C11H14BrNO3/c1-7(14)13-6-10(15)9-5-8(12)3-4-11(9)16-2/h3-5,10,15H,6H2,1-2H3,(H,13,14)
InChIKeyAJEPPXULWKMZNJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
4-(5-bromo-2-methoxyphenyl)-4-(methylamino)butan-2-one
CID 116956001
1-(5-bromo-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 65145489
1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832427
1-(5-bromo-2-methoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 65145596
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628
N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide
CID 112514082
N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830619

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide (CID 82124397) is N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide is COc1ccc(Br)cc1C(O)CNC(C)=O.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide?
The InChIKey is AJEPPXULWKMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(14)13-6-10(15)9-5-8(12)3-4-11(9)16-2/h3-5,10,15H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide?
N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide has a molecular weight of 288.14 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 82124397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).