2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide

C15H12BrN3O2 — CID 107796931

IUPAC2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)COc1cccc(N)c1
InChIInChI=1S/C15H12BrN3O2/c16-11-5-4-10(8-17)14(6-11)19-15(20)9-21-13-3-1-2-12(18)7-13/h1-7H,9,18H2,(H,19,20)
InChIKeyUIODFEYPFDHIBS-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.92
Rot. Bonds4

About 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide

2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide (PubChem CID 107796931) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide
PubChem CID107796931
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)COc1cccc(N)c1
InChIInChI=1S/C15H12BrN3O2/c16-11-5-4-10(8-17)14(6-11)19-15(20)9-21-13-3-1-2-12(18)7-13/h1-7H,9,18H2,(H,19,20)
InChIKeyUIODFEYPFDHIBS-UHFFFAOYSA-N
XLogP2.92
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
CID 61035585
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842616
2-[3-[(4-bromo-2-cyanoanilino)methyl]phenoxy]acetamide
CID 133463538
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 43376506
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide (CID 107796931) is 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide is N#Cc1ccc(Br)cc1NC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide?
The InChIKey is UIODFEYPFDHIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-11-5-4-10(8-17)14(6-11)19-15(20)9-21-13-3-1-2-12(18)7-13/h1-7H,9,18H2,(H,19,20).
What are the key properties of 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide?
2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide has a molecular weight of 346.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide is sourced from PubChem (CID 107796931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).