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

C17H11BrFNO — CID 155526826

IUPAC4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H11BrFNO/c1-11-16(12-2-4-13(18)5-3-12)10-17(21)20(11)15-8-6-14(19)7-9-15/h2-10H,1H2
InChIKeyKBJLZEDSPDVICP-UHFFFAOYSA-N
MW344.18 g/mol
LogP4.53
Rot. Bonds2

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

4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one (PubChem CID 155526826) has the molecular formula C17H11BrFNO and a molecular weight of 344.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one
PubChem CID155526826
Molecular FormulaC17H11BrFNO
Molecular Weight344.18 g/mol
Exact Mass343.00
IUPAC Name4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H11BrFNO/c1-11-16(12-2-4-13(18)5-3-12)10-17(21)20(11)15-8-6-14(19)7-9-15/h2-10H,1H2
InChIKeyKBJLZEDSPDVICP-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one (CID 155526826) is 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one is C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(F)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one?
The InChIKey is KBJLZEDSPDVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO/c1-11-16(12-2-4-13(18)5-3-12)10-17(21)20(11)15-8-6-14(19)7-9-15/h2-10H,1H2.
What are the key properties of 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one?
4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one has a molecular weight of 344.18 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(4-fluorophenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 155526826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).