2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide

C14H18Br2N2O2 — CID 43351708

IUPAC2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
SMILESNc1cc(Br)c(OCC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c15-11-6-9(17)7-12(16)14(11)20-8-13(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyHKFXZZGORMAZNS-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide

2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide (PubChem CID 43351708) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
PubChem CID43351708
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
SMILESNc1cc(Br)c(OCC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c15-11-6-9(17)7-12(16)14(11)20-8-13(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyHKFXZZGORMAZNS-UHFFFAOYSA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide
CID 107739745
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
CID 115960915
3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 107077355
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533387
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide (CID 43351708) is 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide is Nc1cc(Br)c(OCC(=O)NC2CCCCC2)c(Br)c1.
What is the InChIKey of 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide?
The InChIKey is HKFXZZGORMAZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c15-11-6-9(17)7-12(16)14(11)20-8-13(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8,17H2,(H,18,19).
What are the key properties of 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide?
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide has a molecular weight of 406.12 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 43351708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).