2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide

C10H9BrClN3O2 — CID 43379165

IUPAC2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C10H9BrClN3O2/c11-7-3-6(12)4-8(14)10(7)17-5-9(16)15-2-1-13/h3-4H,2,5,14H2,(H,15,16)
InChIKeyAMEKZRZMPQHWPU-UHFFFAOYSA-N
MW318.56 g/mol
LogP1.70
Rot. Bonds4

About 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide

2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide (PubChem CID 43379165) has the molecular formula C10H9BrClN3O2 and a molecular weight of 318.56 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide
PubChem CID43379165
Molecular FormulaC10H9BrClN3O2
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Name2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C10H9BrClN3O2/c11-7-3-6(12)4-8(14)10(7)17-5-9(16)15-2-1-13/h3-4H,2,5,14H2,(H,15,16)
InChIKeyAMEKZRZMPQHWPU-UHFFFAOYSA-N
XLogP1.70
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
CID 43379167
2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
CID 43379208
2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 107715955
3,5-dichloro-2-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 43516070
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666924
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010
2-(3-amino-2,6-dimethylphenoxy)-N-(cyanomethyl)acetamide
CID 62017573
2-amino-5-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 107076873
3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
CID 54879248
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
CID 60888684
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide (CID 43379165) is 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide is N#CCNC(=O)COc1c(N)cc(Cl)cc1Br.
What is the InChIKey of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide?
The InChIKey is AMEKZRZMPQHWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O2/c11-7-3-6(12)4-8(14)10(7)17-5-9(16)15-2-1-13/h3-4H,2,5,14H2,(H,15,16).
What are the key properties of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide?
2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide has a molecular weight of 318.56 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 43379165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).