2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide

C12H16BrN3O3 — CID 61390112

IUPAC2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
SMILESCCNCc1cccc(Br)c1OCC(=O)NC(N)=O
InChIInChI=1S/C12H16BrN3O3/c1-2-15-6-8-4-3-5-9(13)11(8)19-7-10(17)16-12(14)18/h3-5,15H,2,6-7H2,1H3,(H3,14,16,17,18)
InChIKeyNTDJWFVJYJEMPF-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.13
Rot. Bonds6

About 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide

2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide (PubChem CID 61390112) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
PubChem CID61390112
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
SMILESCCNCc1cccc(Br)c1OCC(=O)NC(N)=O
InChIInChI=1S/C12H16BrN3O3/c1-2-15-6-8-4-3-5-9(13)11(8)19-7-10(17)16-12(14)18/h3-5,15H,2,6-7H2,1H3,(H3,14,16,17,18)
InChIKeyNTDJWFVJYJEMPF-UHFFFAOYSA-N
XLogP1.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
CID 61390012
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179
3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 61390121
N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953491
methyl 3-[2-bromo-6-(ethylaminomethyl)phenoxy]propanoate
CID 63949097
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 55147795
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide (CID 61390112) is 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide is CCNCc1cccc(Br)c1OCC(=O)NC(N)=O.
What is the InChIKey of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide?
The InChIKey is NTDJWFVJYJEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-2-15-6-8-4-3-5-9(13)11(8)19-7-10(17)16-12(14)18/h3-5,15H,2,6-7H2,1H3,(H3,14,16,17,18).
What are the key properties of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide?
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide has a molecular weight of 330.18 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 61390112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).