(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one

C18H16FNO2 — CID 137492070

IUPAC(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(OCc2cccc(F)c2)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C18H16FNO2/c19-15-8-4-7-14(9-15)12-22-17-11-18(21)20-16(17)10-13-5-2-1-3-6-13/h1-9,11,16H,10,12H2,(H,20,21)/t16-/m0/s1
InChIKeyCJKDCPOELRNWTO-INIZCTEOSA-N
MW297.33 g/mol
LogP2.97
Rot. Bonds5

About (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one

(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one (PubChem CID 137492070) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one
PubChem CID137492070
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(OCc2cccc(F)c2)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C18H16FNO2/c19-15-8-4-7-14(9-15)12-22-17-11-18(21)20-16(17)10-13-5-2-1-3-6-13/h1-9,11,16H,10,12H2,(H,20,21)/t16-/m0/s1
InChIKeyCJKDCPOELRNWTO-INIZCTEOSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one (CID 137492070) is (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one is O=C1C=C(OCc2cccc(F)c2)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one?
The InChIKey is CJKDCPOELRNWTO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-15-8-4-7-14(9-15)12-22-17-11-18(21)20-16(17)10-13-5-2-1-3-6-13/h1-9,11,16H,10,12H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one?
(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one has a molecular weight of 297.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 137492070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).