2-(5-amino-2-bromophenoxy)-N-benzylacetamide

C15H15BrN2O2 — CID 103009111

IUPAC2-(5-amino-2-bromophenoxy)-N-benzylacetamide
SMILESNc1ccc(Br)c(OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-7-6-12(17)8-14(13)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyBJJHFEKTSIYTJJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.73
Rot. Bonds5

About 2-(5-amino-2-bromophenoxy)-N-benzylacetamide

2-(5-amino-2-bromophenoxy)-N-benzylacetamide (PubChem CID 103009111) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(5-amino-2-bromophenoxy)-N-benzylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-bromophenoxy)-N-benzylacetamide
PubChem CID103009111
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(5-amino-2-bromophenoxy)-N-benzylacetamide
SMILESNc1ccc(Br)c(OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-7-6-12(17)8-14(13)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyBJJHFEKTSIYTJJ-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.73
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-bromophenoxy)-N-benzylacetamide
CID 65429040
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(5-amino-2-bromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 103008653
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
N-benzyl-4-[2-[2-(2-bromo-4-phenylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4960797
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide
CID 19617618
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
2-[2-(benzylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 174959966
N-benzyl-2-[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383368

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-bromophenoxy)-N-benzylacetamide?
The IUPAC name of 2-(5-amino-2-bromophenoxy)-N-benzylacetamide (CID 103009111) is 2-(5-amino-2-bromophenoxy)-N-benzylacetamide.
What is the SMILES notation for 2-(5-amino-2-bromophenoxy)-N-benzylacetamide?
The canonical SMILES for 2-(5-amino-2-bromophenoxy)-N-benzylacetamide is Nc1ccc(Br)c(OCC(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-(5-amino-2-bromophenoxy)-N-benzylacetamide?
The InChIKey is BJJHFEKTSIYTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-7-6-12(17)8-14(13)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-(5-amino-2-bromophenoxy)-N-benzylacetamide?
2-(5-amino-2-bromophenoxy)-N-benzylacetamide has a molecular weight of 335.20 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-bromophenoxy)-N-benzylacetamide is sourced from PubChem (CID 103009111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).