2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide

C14H18Br2N2O4 — CID 134970265

IUPAC2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(Br)c(Br)cc1OCC(=O)N(C)C
InChIInChI=1S/C14H18Br2N2O4/c1-17(2)13(19)7-21-11-5-9(15)10(16)6-12(11)22-8-14(20)18(3)4/h5-6H,7-8H2,1-4H3
InChIKeyAUJITNHQORASIT-UHFFFAOYSA-N
MW438.12 g/mol
LogP2.15
Rot. Bonds6

About 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide

2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide (PubChem CID 134970265) has the molecular formula C14H18Br2N2O4 and a molecular weight of 438.12 g/mol. Its IUPAC name is 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
PubChem CID134970265
Molecular FormulaC14H18Br2N2O4
Molecular Weight438.12 g/mol
Exact Mass435.96
IUPAC Name2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(Br)c(Br)cc1OCC(=O)N(C)C
InChIInChI=1S/C14H18Br2N2O4/c1-17(2)13(19)7-21-11-5-9(15)10(16)6-12(11)22-8-14(20)18(3)4/h5-6H,7-8H2,1-4H3
InChIKeyAUJITNHQORASIT-UHFFFAOYSA-N
XLogP2.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide (CID 134970265) is 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(Br)c(Br)cc1OCC(=O)N(C)C.
What is the InChIKey of 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide?
The InChIKey is AUJITNHQORASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O4/c1-17(2)13(19)7-21-11-5-9(15)10(16)6-12(11)22-8-14(20)18(3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide?
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide has a molecular weight of 438.12 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 134970265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).