N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide

C26H24FNO3 — CID 174797413

IUPACN-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
SMILESCC(C)C(=O)CC(=O)N(c1ccccc1)C(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H24FNO3/c1-18(2)23(29)17-24(30)28(22-11-7-4-8-12-22)25(19-9-5-3-6-10-19)26(31)20-13-15-21(27)16-14-20/h3-16,18,25H,17H2,1-2H3
InChIKeyVMPHCMJPCBIKPE-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.40
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide

N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide (PubChem CID 174797413) has the molecular formula C26H24FNO3 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
PubChem CID174797413
Molecular FormulaC26H24FNO3
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC NameN-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
SMILESCC(C)C(=O)CC(=O)N(c1ccccc1)C(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H24FNO3/c1-18(2)23(29)17-24(30)28(22-11-7-4-8-12-22)25(19-9-5-3-6-10-19)26(31)20-13-15-21(27)16-14-20/h3-16,18,25H,17H2,1-2H3
InChIKeyVMPHCMJPCBIKPE-UHFFFAOYSA-N
XLogP5.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide (CID 174797413) is N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide is CC(C)C(=O)CC(=O)N(c1ccccc1)C(C(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide?
The InChIKey is VMPHCMJPCBIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO3/c1-18(2)23(29)17-24(30)28(22-11-7-4-8-12-22)25(19-9-5-3-6-10-19)26(31)20-13-15-21(27)16-14-20/h3-16,18,25H,17H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide?
N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide has a molecular weight of 417.48 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide is sourced from PubChem (CID 174797413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).