N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C28H24FN3O4 — CID 112837580

About N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 112837580) has the molecular formula C28H24FN3O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• PubChem CID: 112837580
• Molecular Formula: C28H24FN3O4
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.18
• IUPAC Name: N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• SMILES: O=C(Cc1ccccc1)Nc1cc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)ccc1F
• InChI: InChI=1S/C28H24FN3O4/c29-22-14-13-21(18-23(22)31-26(33)17-20-10-5-2-6-11-20)30-27(34)24(16-19-8-3-1-4-9-19)32-28(35)25-12-7-15-36-25/h1-15,18,24H,16-17H2,(H,30,34)(H,31,33)(H,32,35)
• InChIKey: UUOILVZLXYPIDA-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 100.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 112837580) is N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(Cc1ccccc1)Nc1cc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)ccc1F.

What is the InChIKey of N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The InChIKey is UUOILVZLXYPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4/c29-22-14-13-21(18-23(22)31-26(33)17-20-10-5-2-6-11-20)30-27(34)24(16-19-8-3-1-4-9-19)32-28(35)25-12-7-15-36-25/h1-15,18,24H,16-17H2,(H,30,34)(H,31,33)(H,32,35).

What are the key properties of N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 112837580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).