1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one

C28H28FNO3 — CID 66713560

IUPAC1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one
SMILESO=C(CCCC(OCc1ccccc1)c1ccc(F)cc1)N1C(=O)CCC1c1ccccc1
InChIInChI=1S/C28H28FNO3/c29-24-16-14-23(15-17-24)26(33-20-21-8-3-1-4-9-21)12-7-13-27(31)30-25(18-19-28(30)32)22-10-5-2-6-11-22/h1-6,8-11,14-17,25-26H,7,12-13,18-20H2
InChIKeyMZYVKBPDMBTPGZ-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.14
Rot. Bonds9

About 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one

1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one (PubChem CID 66713560) has the molecular formula C28H28FNO3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one
PubChem CID66713560
Molecular FormulaC28H28FNO3
Molecular Weight445.53 g/mol
Exact Mass445.21
IUPAC Name1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one
SMILESO=C(CCCC(OCc1ccccc1)c1ccc(F)cc1)N1C(=O)CCC1c1ccccc1
InChIInChI=1S/C28H28FNO3/c29-24-16-14-23(15-17-24)26(33-20-21-8-3-1-4-9-21)12-7-13-27(31)30-25(18-19-28(30)32)22-10-5-2-6-11-22/h1-6,8-11,14-17,25-26H,7,12-13,18-20H2
InChIKeyMZYVKBPDMBTPGZ-UHFFFAOYSA-N
XLogP6.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one (CID 66713560) is 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one is O=C(CCCC(OCc1ccccc1)c1ccc(F)cc1)N1C(=O)CCC1c1ccccc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one?
The InChIKey is MZYVKBPDMBTPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FNO3/c29-24-16-14-23(15-17-24)26(33-20-21-8-3-1-4-9-21)12-7-13-27(31)30-25(18-19-28(30)32)22-10-5-2-6-11-22/h1-6,8-11,14-17,25-26H,7,12-13,18-20H2.
What are the key properties of 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one?
1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one has a molecular weight of 445.53 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 66713560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).