2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide

C15H21BrN2O2 — CID 65430153

IUPAC2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
SMILESNc1cc(Br)ccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H21BrN2O2/c16-11-7-8-14(13(17)9-11)20-10-15(19)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10,17H2,(H,18,19)
InChIKeyZUTGGFXSBPMWAD-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide

2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide (PubChem CID 65430153) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
PubChem CID65430153
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
SMILESNc1cc(Br)ccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H21BrN2O2/c16-11-7-8-14(13(17)9-11)20-10-15(19)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10,17H2,(H,18,19)
InChIKeyZUTGGFXSBPMWAD-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.25
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-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(2-amino-4-formylphenoxy)-N-cyclopentylacetamide
CID 82057064
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide (CID 65430153) is 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide is Nc1cc(Br)ccc1OCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide?
The InChIKey is ZUTGGFXSBPMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-11-7-8-14(13(17)9-11)20-10-15(19)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10,17H2,(H,18,19).
What are the key properties of 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide?
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide has a molecular weight of 341.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 65430153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).