N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide

C20H20FNO3 — CID 110618430

IUPACN-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FNO3/c1-13-6-7-16(14(2)23)12-18(13)22-20(25)5-3-4-19(24)15-8-10-17(21)11-9-15/h6-12H,3-5H2,1-2H3,(H,22,25)
InChIKeyUVMOJUMMDIQVKM-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.33
Rot. Bonds7

About N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide

N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide (PubChem CID 110618430) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
PubChem CID110618430
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC NameN-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FNO3/c1-13-6-7-16(14(2)23)12-18(13)22-20(25)5-3-4-19(24)15-8-10-17(21)11-9-15/h6-12H,3-5H2,1-2H3,(H,22,25)
InChIKeyUVMOJUMMDIQVKM-UHFFFAOYSA-N
XLogP4.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide
CID 110612634
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
CID 110615676
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
2-(4-acetylanilino)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18096453
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
CID 110298164
N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide
CID 172669326
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide (CID 110618430) is N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide is CC(=O)c1ccc(C)c(NC(=O)CCCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The InChIKey is UVMOJUMMDIQVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-13-6-7-16(14(2)23)12-18(13)22-20(25)5-3-4-19(24)15-8-10-17(21)11-9-15/h6-12H,3-5H2,1-2H3,(H,22,25).
What are the key properties of N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide?
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide has a molecular weight of 341.38 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide is sourced from PubChem (CID 110618430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).