2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide

C11H12BrN3O4 — CID 116541385

IUPAC2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide
SMILESCC(=O)c1cc(Br)cc(N)c1OCC(=O)NC(N)=O
InChIInChI=1S/C11H12BrN3O4/c1-5(16)7-2-6(12)3-8(13)10(7)19-4-9(17)15-11(14)18/h2-3H,4,13H2,1H3,(H3,14,15,17,18)
InChIKeyXOXIPGGILWYCRD-UHFFFAOYSA-N
MW330.14 g/mol
LogP0.81
Rot. Bonds4

About 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide

2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide (PubChem CID 116541385) has the molecular formula C11H12BrN3O4 and a molecular weight of 330.14 g/mol. Its IUPAC name is 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide
PubChem CID116541385
Molecular FormulaC11H12BrN3O4
Molecular Weight330.14 g/mol
Exact Mass329.00
IUPAC Name2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide
SMILESCC(=O)c1cc(Br)cc(N)c1OCC(=O)NC(N)=O
InChIInChI=1S/C11H12BrN3O4/c1-5(16)7-2-6(12)3-8(13)10(7)19-4-9(17)15-11(14)18/h2-3H,4,13H2,1H3,(H3,14,15,17,18)
InChIKeyXOXIPGGILWYCRD-UHFFFAOYSA-N
XLogP0.81
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 116541398
2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide
CID 116541403
1-[3-amino-5-bromo-2-(2-propoxyethoxy)phenyl]ethanone
CID 106449370
1-[3-amino-5-bromo-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541361
2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
CID 43169631
1-[3-amino-5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 114345665
1-[3-amino-5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanone
CID 116541394
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179
1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one
CID 116541213
1-[3-amino-5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 116541331
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide?
The IUPAC name of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide (CID 116541385) is 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide.
What is the SMILES notation for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide?
The canonical SMILES for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide is CC(=O)c1cc(Br)cc(N)c1OCC(=O)NC(N)=O.
What is the InChIKey of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide?
The InChIKey is XOXIPGGILWYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O4/c1-5(16)7-2-6(12)3-8(13)10(7)19-4-9(17)15-11(14)18/h2-3H,4,13H2,1H3,(H3,14,15,17,18).
What are the key properties of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide?
2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide has a molecular weight of 330.14 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide is sourced from PubChem (CID 116541385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).