N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide

C15H11BrFNO3 — CID 107697645

IUPACN-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
SMILESO=Cc1cc(F)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO3/c16-11-1-4-13(5-2-11)18-15(20)9-21-14-6-3-12(17)7-10(14)8-19/h1-8H,9H2,(H,18,20)
InChIKeyKDRHAVHQBHKGBF-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.42
Rot. Bonds5

About N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide

N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide (PubChem CID 107697645) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
PubChem CID107697645
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC NameN-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
SMILESO=Cc1cc(F)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO3/c16-11-1-4-13(5-2-11)18-15(20)9-21-14-6-3-12(17)7-10(14)8-19/h1-8H,9H2,(H,18,20)
InChIKeyKDRHAVHQBHKGBF-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

N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
2-[4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 4552914
2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide (CID 107697645) is N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide is O=Cc1cc(F)ccc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide?
The InChIKey is KDRHAVHQBHKGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c16-11-1-4-13(5-2-11)18-15(20)9-21-14-6-3-12(17)7-10(14)8-19/h1-8H,9H2,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide?
N-(4-bromophenyl)-2-(4-fluoro-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-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide is sourced from PubChem (CID 107697645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).