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

C17H15BrFNO3 — CID 2711563

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H15BrFNO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyQAFNQXUSWMNJAA-UHFFFAOYSA-N
MW380.21 g/mol
LogP4.20
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 2711563) has the molecular formula C17H15BrFNO3 and a molecular weight of 380.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID2711563
Molecular FormulaC17H15BrFNO3
Molecular Weight380.21 g/mol
Exact Mass379.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H15BrFNO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyQAFNQXUSWMNJAA-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
CID 39166764
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326061
N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 53267565
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2466756
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
CID 78820007
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2947306
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide (CID 2711563) is N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is QAFNQXUSWMNJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 380.21 g/mol, XLogP of 4.20, 6 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-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2711563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).