1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one

C19H18FNO3 — CID 91261952

IUPAC1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1ccc(-c2ccc(OCF)cc2)cc1
InChIInChI=1S/C19H18FNO3/c1-13(22)21-18(10-11-19(21)23)16-4-2-14(3-5-16)15-6-8-17(9-7-15)24-12-20/h2-9,18H,10-12H2,1H3
InChIKeyYRGMQQCEEGVSMM-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.87
Rot. Bonds4

About 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one

1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one (PubChem CID 91261952) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one
PubChem CID91261952
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1ccc(-c2ccc(OCF)cc2)cc1
InChIInChI=1S/C19H18FNO3/c1-13(22)21-18(10-11-19(21)23)16-4-2-14(3-5-16)15-6-8-17(9-7-15)24-12-20/h2-9,18H,10-12H2,1H3
InChIKeyYRGMQQCEEGVSMM-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one (CID 91261952) is 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one is CC(=O)N1C(=O)CCC1c1ccc(-c2ccc(OCF)cc2)cc1.
What is the InChIKey of 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one?
The InChIKey is YRGMQQCEEGVSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-13(22)21-18(10-11-19(21)23)16-4-2-14(3-5-16)15-6-8-17(9-7-15)24-12-20/h2-9,18H,10-12H2,1H3.
What are the key properties of 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one?
1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one has a molecular weight of 327.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-[4-[4-(fluoromethoxy)phenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 91261952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).