2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide

C11H14BrNO3 — CID 172906988

IUPAC2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
SMILESCOc1ccc(Br)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C11H14BrNO3/c1-13(2)11(14)7-16-10-6-8(15-3)4-5-9(10)12/h4-6H,7H2,1-3H3
InChIKeyQMECRBSMHIXHPW-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide

2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide (PubChem CID 172906988) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
PubChem CID172906988
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
SMILESCOc1ccc(Br)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C11H14BrNO3/c1-13(2)11(14)7-16-10-6-8(15-3)4-5-9(10)12/h4-6H,7H2,1-3H3
InChIKeyQMECRBSMHIXHPW-UHFFFAOYSA-N
XLogP1.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
CID 134970265
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
CID 172906966
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
CID 102702283
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8827183
2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
CID 60623792
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
3-[(2-bromo-5-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 65323932

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide (CID 172906988) is 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide is COc1ccc(Br)c(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide?
The InChIKey is QMECRBSMHIXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-13(2)11(14)7-16-10-6-8(15-3)4-5-9(10)12/h4-6H,7H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide?
2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide has a molecular weight of 288.14 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 172906988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).