1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one

C18H14FNO — CID 155547427

IUPAC1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C(c2ccccc2F)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H14FNO/c1-13-16(15-9-5-6-10-17(15)19)11-18(21)20(13)12-14-7-3-2-4-8-14/h2-11H,1,12H2
InChIKeyQPRKRDTTXMKRCR-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.77
Rot. Bonds3

About 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one

1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one (PubChem CID 155547427) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one
PubChem CID155547427
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C(c2ccccc2F)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H14FNO/c1-13-16(15-9-5-6-10-17(15)19)11-18(21)20(13)12-14-7-3-2-4-8-14/h2-11H,1,12H2
InChIKeyQPRKRDTTXMKRCR-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one (CID 155547427) is 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one is C=C1C(c2ccccc2F)=CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
The InChIKey is QPRKRDTTXMKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-13-16(15-9-5-6-10-17(15)19)11-18(21)20(13)12-14-7-3-2-4-8-14/h2-11H,1,12H2.
What are the key properties of 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one has a molecular weight of 279.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 155547427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).