4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one

C18H11BrF3NO — CID 155515555

IUPAC4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one
SMILESC=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11BrF3NO/c1-11-16(12-2-6-14(19)7-3-12)10-17(24)23(11)15-8-4-13(5-9-15)18(20,21)22/h2-10H,1H2
InChIKeyOORQVCCBCOQRFP-UHFFFAOYSA-N
MW394.19 g/mol
LogP5.41
Rot. Bonds2

About 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one

4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one (PubChem CID 155515555) has the molecular formula C18H11BrF3NO and a molecular weight of 394.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one
PubChem CID155515555
Molecular FormulaC18H11BrF3NO
Molecular Weight394.19 g/mol
Exact Mass393.00
IUPAC Name4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one
SMILESC=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11BrF3NO/c1-11-16(12-2-6-14(19)7-3-12)10-17(24)23(11)15-8-4-13(5-9-15)18(20,21)22/h2-10H,1H2
InChIKeyOORQVCCBCOQRFP-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.19
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
The IUPAC name of 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one (CID 155515555) is 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
The canonical SMILES for 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one is C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
The InChIKey is OORQVCCBCOQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrF3NO/c1-11-16(12-2-6-14(19)7-3-12)10-17(24)23(11)15-8-4-13(5-9-15)18(20,21)22/h2-10H,1H2.
What are the key properties of 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one has a molecular weight of 394.19 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methylidene-1-[4-(trifluoromethyl)phenyl]pyrrol-2-one is sourced from PubChem (CID 155515555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).