5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide

C30H31Cl2FN6O4 — CID 98307424

About 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide

5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide (PubChem CID 98307424) has the molecular formula C30H31Cl2FN6O4 and a molecular weight of 629.52 g/mol. Its IUPAC name is 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide.

Molecular Properties

• Compound Name: 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide
• PubChem CID: 98307424
• Molecular Formula: C30H31Cl2FN6O4
• Molecular Weight: 629.52 g/mol
• Exact Mass: 628.18
• IUPAC Name: 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide
• SMILES: CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(F)cc1
• InChI: InChI=1S/C30H31Cl2FN6O4/c1-30(2)27(39(43)28(41)35-24-9-5-7-21(31)17-24)38(25-10-6-8-22(32)18-25)29(42)37(30)16-4-3-11-26(40)36-34-19-20-12-14-23(33)15-13-20/h5-10,12-15,17-19,27,43H,3-4,11,16H2,1-2H3,(H,35,41)(H,36,40)/b34-19-/t27-/m1/s1
• InChIKey: SICFJJGSDYFXNZ-OQVGDTCNSA-N
• XLogP: 6.72
• TPSA: 117.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.52
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide?

The IUPAC name of 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide (CID 98307424) is 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide.

What is the SMILES notation for 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide?

The canonical SMILES for 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide is CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(F)cc1.

What is the InChIKey of 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide?

The InChIKey is SICFJJGSDYFXNZ-OQVGDTCNSA-N. The full InChI is InChI=1S/C30H31Cl2FN6O4/c1-30(2)27(39(43)28(41)35-24-9-5-7-21(31)17-24)38(25-10-6-8-22(32)18-25)29(42)37(30)16-4-3-11-26(40)36-34-19-20-12-14-23(33)15-13-20/h5-10,12-15,17-19,27,43H,3-4,11,16H2,1-2H3,(H,35,41)(H,36,40)/b34-19-/t27-/m1/s1.

What are the key properties of 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide?

5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide has a molecular weight of 629.52 g/mol, XLogP of 6.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide is sourced from PubChem (CID 98307424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).