N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide

C15H11BrFNO3 — CID 17202089

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFNO3/c16-11-5-6-13(12(17)7-11)18-15(20)9-21-14-4-2-1-3-10(14)8-19/h1-8H,9H2,(H,18,20)
InChIKeyATLBOKIJDQIFOM-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.42
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide (PubChem CID 17202089) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
PubChem CID17202089
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFNO3/c16-11-5-6-13(12(17)7-11)18-15(20)9-21-14-4-2-1-3-10(14)8-19/h1-8H,9H2,(H,18,20)
InChIKeyATLBOKIJDQIFOM-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609611
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
N'-[(Z)-[2-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126264576
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7820278
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
N'-[(Z)-[2-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 126264885

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide (CID 17202089) is N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide is O=Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide?
The InChIKey is ATLBOKIJDQIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c16-11-5-6-13(12(17)7-11)18-15(20)9-21-14-4-2-1-3-10(14)8-19/h1-8H,9H2,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide has a molecular weight of 352.16 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 17202089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).