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

C15H15BrN2O2 — CID 65429040

IUPAC2-(2-amino-4-bromophenoxy)-N-benzylacetamide
SMILESNc1cc(Br)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C15H15BrN2O2/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyYDCXNTRLYNBWBS-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.73
Rot. Bonds5

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

2-(2-amino-4-bromophenoxy)-N-benzylacetamide (PubChem CID 65429040) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenoxy)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenoxy)-N-benzylacetamide
PubChem CID65429040
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(2-amino-4-bromophenoxy)-N-benzylacetamide
SMILESNc1cc(Br)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C15H15BrN2O2/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyYDCXNTRLYNBWBS-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

N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
2-(5-amino-2-bromophenoxy)-N-benzylacetamide
CID 103009111
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
N-benzyl-2-[4-bromo-2-(2,6-diamino-5-cyanopyrimidin-4-yl)phenoxy]acetamide
CID 169398120
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
N-(benzylcarbamothioyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 5117432
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenoxy)-N-benzylacetamide?
The IUPAC name of 2-(2-amino-4-bromophenoxy)-N-benzylacetamide (CID 65429040) is 2-(2-amino-4-bromophenoxy)-N-benzylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenoxy)-N-benzylacetamide?
The canonical SMILES for 2-(2-amino-4-bromophenoxy)-N-benzylacetamide is Nc1cc(Br)ccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of 2-(2-amino-4-bromophenoxy)-N-benzylacetamide?
The InChIKey is YDCXNTRLYNBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-6-7-14(13(17)8-12)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-(2-amino-4-bromophenoxy)-N-benzylacetamide?
2-(2-amino-4-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-(2-amino-4-bromophenoxy)-N-benzylacetamide is sourced from PubChem (CID 65429040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).