(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione

C28H27BrN2O4 — CID 108710854

IUPAC(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCCN(CC)c1ccc(C2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2OC)cc1
InChIInChI=1S/C28H27BrN2O4/c1-4-30(5-2)21-16-12-18(13-17-21)25-24(26(32)19-10-14-20(29)15-11-19)27(33)28(34)31(25)22-8-6-7-9-23(22)35-3/h6-17,25,32H,4-5H2,1-3H3/b26-24-
InChIKeyKQVLPMOXBRGLLB-LCUIJRPUSA-N
MW535.44 g/mol
LogP5.93
Rot. Bonds7

About (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione

(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108710854) has the molecular formula C28H27BrN2O4 and a molecular weight of 535.44 g/mol. Its IUPAC name is (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
PubChem CID108710854
Molecular FormulaC28H27BrN2O4
Molecular Weight535.44 g/mol
Exact Mass534.12
IUPAC Name(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCCN(CC)c1ccc(C2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2OC)cc1
InChIInChI=1S/C28H27BrN2O4/c1-4-30(5-2)21-16-12-18(13-17-21)25-24(26(32)19-10-14-20(29)15-11-19)27(33)28(34)31(25)22-8-6-7-9-23(22)35-3/h6-17,25,32H,4-5H2,1-3H3/b26-24-
InChIKeyKQVLPMOXBRGLLB-LCUIJRPUSA-N
XLogP5.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.44
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108710868
(4Z)-5-[4-(diethylamino)phenyl]-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108710884
(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy(5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108710847
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-methoxyphenyl)-5-phenylpyrrolidine-2,3-dione
CID 108639215
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108575840
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108579656
(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-methoxyphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108633545
(4E)-5-[4-(diethylamino)phenyl]-1-(2,4-difluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108711137
(4Z)-1-[4-(diethylamino)phenyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]pyrrolidine-2,3-dione
CID 108705599
(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(2-hydroxy-5-methylphenyl)pyrrolidine-2,3-dione
CID 108710970
(4E)-1-[4-(diethylamino)phenyl]-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108668903
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,3-dione
CID 108711002

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione (CID 108710854) is (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione is CCN(CC)c1ccc(C2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2OC)cc1.
What is the InChIKey of (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is KQVLPMOXBRGLLB-LCUIJRPUSA-N. The full InChI is InChI=1S/C28H27BrN2O4/c1-4-30(5-2)21-16-12-18(13-17-21)25-24(26(32)19-10-14-20(29)15-11-19)27(33)28(34)31(25)22-8-6-7-9-23(22)35-3/h6-17,25,32H,4-5H2,1-3H3/b26-24-.
What are the key properties of (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione?
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 535.44 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108710854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).