N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

C17H15BrFNO2 — CID 9165178

IUPACN-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C17H15BrFNO2/c1-11-10-14(6-7-15(11)18)20-17(22)9-8-16(21)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyDYFOSMDESGPUEO-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.50
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 9165178) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID9165178
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C17H15BrFNO2/c1-11-10-14(6-7-15(11)18)20-17(22)9-8-16(21)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyDYFOSMDESGPUEO-UHFFFAOYSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110426251
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261560
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 9165178) is N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is Cc1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is DYFOSMDESGPUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c1-11-10-14(6-7-15(11)18)20-17(22)9-8-16(21)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 364.21 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 9165178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).