N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide

C12H15Br2N3O3 — CID 107742179

IUPACN-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1cc(Br)c(OCC(=O)NC(N)=O)c(Br)c1
InChIInChI=1S/C12H15Br2N3O3/c1-2-16-5-7-3-8(13)11(9(14)4-7)20-6-10(18)17-12(15)19/h3-4,16H,2,5-6H2,1H3,(H3,15,17,18,19)
InChIKeyLFIILOZIYYOGRU-UHFFFAOYSA-N
MW409.08 g/mol
LogP1.89
Rot. Bonds6

About N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide

N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide (PubChem CID 107742179) has the molecular formula C12H15Br2N3O3 and a molecular weight of 409.08 g/mol. Its IUPAC name is N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
PubChem CID107742179
Molecular FormulaC12H15Br2N3O3
Molecular Weight409.08 g/mol
Exact Mass406.95
IUPAC NameN-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1cc(Br)c(OCC(=O)NC(N)=O)c(Br)c1
InChIInChI=1S/C12H15Br2N3O3/c1-2-16-5-7-3-8(13)11(9(14)4-7)20-6-10(18)17-12(15)19/h3-4,16H,2,5-6H2,1H3,(H3,15,17,18,19)
InChIKeyLFIILOZIYYOGRU-UHFFFAOYSA-N
XLogP1.89
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetate
CID 107742173
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 43626905
N-butyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742106
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112
3-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 107742264
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
2-[2-bromo-4-(propylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 63044671
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 107744239
ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
CID 8914727
2-[2,6-dibromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 107744887

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide (CID 107742179) is N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide is CCNCc1cc(Br)c(OCC(=O)NC(N)=O)c(Br)c1.
What is the InChIKey of N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide?
The InChIKey is LFIILOZIYYOGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3O3/c1-2-16-5-7-3-8(13)11(9(14)4-7)20-6-10(18)17-12(15)19/h3-4,16H,2,5-6H2,1H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide?
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide has a molecular weight of 409.08 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 107742179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).