N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide

C15H14BrNO2 — CID 114310874

IUPACN-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CBr)cc1
InChIInChI=1S/C15H14BrNO2/c16-10-12-6-8-13(9-7-12)17-15(18)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyYAEHGXALOMEFCF-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide

N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide (PubChem CID 114310874) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
PubChem CID114310874
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC NameN-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CBr)cc1
InChIInChI=1S/C15H14BrNO2/c16-10-12-6-8-13(9-7-12)17-15(18)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyYAEHGXALOMEFCF-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 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 ≤ 53.60
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

N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
N-[4-(diethylaminomethyl)phenyl]-2-phenoxyacetamide
CID 959344
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide (CID 114310874) is N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(CBr)cc1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide?
The InChIKey is YAEHGXALOMEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-10-12-6-8-13(9-7-12)17-15(18)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide?
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide has a molecular weight of 320.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 114310874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).