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

C11H14BrNO2 — CID 10084595

IUPACN-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(Br)cc1CCNC(C)=O
InChIInChI=1S/C11H14BrNO2/c1-8(14)13-6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyMRSTYYFDEFQRJG-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.14
Rot. Bonds4

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

N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide (PubChem CID 10084595) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide
PubChem CID10084595
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(Br)cc1CCNC(C)=O
InChIInChI=1S/C11H14BrNO2/c1-8(14)13-6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyMRSTYYFDEFQRJG-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide (CID 10084595) is N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide is COc1ccc(Br)cc1CCNC(C)=O.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide?
The InChIKey is MRSTYYFDEFQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(14)13-6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide?
N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide has a molecular weight of 272.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10084595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).