N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide

C15H15BrN2O3 — CID 104706751

IUPACN-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(N)c2)c(Br)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-12-5-6-14(13(16)8-12)21-9-15(19)18-11-4-2-3-10(17)7-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyAFPKJZIXLGELTI-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.06
Rot. Bonds5

About N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide

N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide (PubChem CID 104706751) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
PubChem CID104706751
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(N)c2)c(Br)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-12-5-6-14(13(16)8-12)21-9-15(19)18-11-4-2-3-10(17)7-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyAFPKJZIXLGELTI-UHFFFAOYSA-N
XLogP3.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.06
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-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 107722743
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 54793221
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
methyl 3-bromo-4-[2-(3-bromoanilino)-2-oxoethoxy]benzoate
CID 36531528
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide (CID 104706751) is N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cccc(N)c2)c(Br)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide?
The InChIKey is AFPKJZIXLGELTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-12-5-6-14(13(16)8-12)21-9-15(19)18-11-4-2-3-10(17)7-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide?
N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide has a molecular weight of 351.20 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide is sourced from PubChem (CID 104706751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).