2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide

C13H18BrNO3 — CID 103877038

IUPAC2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-18-9-12(16)5-6-15-13(17)8-10-3-2-4-11(14)7-10/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyPOZKZHYJVKXGRQ-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.51
Rot. Bonds7

About 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide

2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 103877038) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID103877038
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-18-9-12(16)5-6-15-13(17)8-10-3-2-4-11(14)7-10/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyPOZKZHYJVKXGRQ-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
CID 114309938
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578
N-(3-amino-3-phenylpropyl)-2-(3-bromophenyl)acetamide
CID 80506871
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101145
2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101258
3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 103877038) is 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is POZKZHYJVKXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-18-9-12(16)5-6-15-13(17)8-10-3-2-4-11(14)7-10/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 316.19 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 103877038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).