N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide

C32H32F2N4O4 — CID 46879011

About N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide

N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide (PubChem CID 46879011) has the molecular formula C32H32F2N4O4 and a molecular weight of 574.63 g/mol. Its IUPAC name is N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide
• PubChem CID: 46879011
• Molecular Formula: C32H32F2N4O4
• Molecular Weight: 574.63 g/mol
• Exact Mass: 574.24
• IUPAC Name: N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide
• SMILES: O=C(CNC(=O)C1CCCN1C(=O)/C=C/c1ccccc1)NC(Cc1ccccc1)C(=O)NCc1ccc(F)cc1F
• InChI: InChI=1S/C32H32F2N4O4/c33-25-15-14-24(26(34)19-25)20-35-31(41)27(18-23-10-5-2-6-11-23)37-29(39)21-36-32(42)28-12-7-17-38(28)30(40)16-13-22-8-3-1-4-9-22/h1-6,8-11,13-16,19,27-28H,7,12,17-18,20-21H2,(H,35,41)(H,36,42)(H,37,39)/b16-13+
• InChIKey: OUPKFXWONMZSJI-DTQAZKPQSA-N
• XLogP: 3.13
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.63
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide (CID 46879011) is N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide is O=C(CNC(=O)C1CCCN1C(=O)/C=C/c1ccccc1)NC(Cc1ccccc1)C(=O)NCc1ccc(F)cc1F.

What is the InChIKey of N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide?

The InChIKey is OUPKFXWONMZSJI-DTQAZKPQSA-N. The full InChI is InChI=1S/C32H32F2N4O4/c33-25-15-14-24(26(34)19-25)20-35-31(41)27(18-23-10-5-2-6-11-23)37-29(39)21-36-32(42)28-12-7-17-38(28)30(40)16-13-22-8-3-1-4-9-22/h1-6,8-11,13-16,19,27-28H,7,12,17-18,20-21H2,(H,35,41)(H,36,42)(H,37,39)/b16-13+.

What are the key properties of N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide?

N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide has a molecular weight of 574.63 g/mol, XLogP of 3.13, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[(2,4-difluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46879011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).