N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide

C12H16BrNO3 — CID 75503918

IUPACN-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide
SMILESCOc1cc(Br)ccc1CCCNC(=O)CO
InChIInChI=1S/C12H16BrNO3/c1-17-11-7-10(13)5-4-9(11)3-2-6-14-12(16)8-15/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16)
InChIKeyOCFQFGLGZRRLJL-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.50
Rot. Bonds6

About N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide

N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide (PubChem CID 75503918) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide
PubChem CID75503918
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide
SMILESCOc1cc(Br)ccc1CCCNC(=O)CO
InChIInChI=1S/C12H16BrNO3/c1-17-11-7-10(13)5-4-9(11)3-2-6-14-12(16)8-15/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16)
InChIKeyOCFQFGLGZRRLJL-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-bromo-2-methoxyphenyl)propylcarbamoylamino]butanoic acid
CID 122009749
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
2-[[[3-(4-bromo-2-methoxyphenyl)propylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035757
2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride
CID 175415632
3-[[3-(4-bromo-2-methoxyphenyl)propylamino]methyl]benzoic acid
CID 122032780
4-bromo-1-(3-ethylsulfonylpropyl)-2-methoxybenzene
CID 75503099
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
5-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 119234651
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018
2-[3-(4-bromo-2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110029294

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide (CID 75503918) is N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide is COc1cc(Br)ccc1CCCNC(=O)CO.
What is the InChIKey of N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide?
The InChIKey is OCFQFGLGZRRLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-17-11-7-10(13)5-4-9(11)3-2-6-14-12(16)8-15/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16).
What are the key properties of N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide?
N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide has a molecular weight of 302.17 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide is sourced from PubChem (CID 75503918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).