2-[2-[bromo(phenyl)methyl]phenoxy]acetamide

C15H14BrNO2 — CID 174707940

IUPAC2-[2-[bromo(phenyl)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(Br)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-10-14(17)18/h1-9,15H,10H2,(H2,17,18)
InChIKeyQEBZTYWKUXSFBQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.04
Rot. Bonds5

About 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide

2-[2-[bromo(phenyl)methyl]phenoxy]acetamide (PubChem CID 174707940) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[bromo(phenyl)methyl]phenoxy]acetamide
PubChem CID174707940
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-[2-[bromo(phenyl)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(Br)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-10-14(17)18/h1-9,15H,10H2,(H2,17,18)
InChIKeyQEBZTYWKUXSFBQ-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
2-(2-hydroxyphenoxy)acetamide
CID 786426
2-[bromo(phenyl)methyl]benzamide
CID 175221886
2-(2-tert-butylphenoxy)acetamide
CID 17051379
tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
CID 95336152
potassium;hydride;2-phenoxyacetamide
CID 175513799
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
2-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-phenylacetamide
CID 78840056
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide (CID 174707940) is 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide is NC(=O)COc1ccccc1C(Br)c1ccccc1.
What is the InChIKey of 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide?
The InChIKey is QEBZTYWKUXSFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-10-14(17)18/h1-9,15H,10H2,(H2,17,18).
What are the key properties of 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide?
2-[2-[bromo(phenyl)methyl]phenoxy]acetamide has a molecular weight of 320.19 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bromo(phenyl)methyl]phenoxy]acetamide is sourced from PubChem (CID 174707940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).