2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide

C15H13BrClNO3 — CID 9227433

IUPAC2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NOCc1ccccc1
InChIInChI=1S/C15H13BrClNO3/c16-13-8-12(17)6-7-14(13)20-10-15(19)18-21-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyNWYJUZPOKQXJTO-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.73
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide

2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide (PubChem CID 9227433) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
PubChem CID9227433
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NOCc1ccccc1
InChIInChI=1S/C15H13BrClNO3/c16-13-8-12(17)6-7-14(13)20-10-15(19)18-21-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyNWYJUZPOKQXJTO-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene
CID 170771215
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
N-(2-benzylsulfanylethyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 7488647
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide
CID 9227392
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
CID 4935845

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide (CID 9227433) is 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide is O=C(COc1ccc(Cl)cc1Br)NOCc1ccccc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide?
The InChIKey is NWYJUZPOKQXJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c16-13-8-12(17)6-7-14(13)20-10-15(19)18-21-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide?
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide has a molecular weight of 370.63 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide is sourced from PubChem (CID 9227433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).