(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one

C23H18ClNO2 — CID 71479587

IUPAC(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one
SMILESCOc1ccc(CN2C(=O)c3ccccc3/C2=C\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO2/c1-27-19-12-8-17(9-13-19)15-25-22(14-16-6-10-18(24)11-7-16)20-4-2-3-5-21(20)23(25)26/h2-14H,15H2,1H3/b22-14+
InChIKeyRSICLPLVCVDGMX-HYARGMPZSA-N
MW375.86 g/mol
LogP5.50
Rot. Bonds4

About (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one

(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one (PubChem CID 71479587) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one.

Molecular Properties

Compound Name(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one
PubChem CID71479587
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one
SMILESCOc1ccc(CN2C(=O)c3ccccc3/C2=C\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO2/c1-27-19-12-8-17(9-13-19)15-25-22(14-16-6-10-18(24)11-7-16)20-4-2-3-5-21(20)23(25)26/h2-14H,15H2,1H3/b22-14+
InChIKeyRSICLPLVCVDGMX-HYARGMPZSA-N
XLogP5.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methylidene]isoquinoline-1,3-dione
CID 3916497
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
N-[4-[(Z)-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoquinolin-4-ylidene]methyl]phenyl]acetamide
CID 2096308
ethyl 2-[(1E)-1-[(4-chlorophenyl)methylidene]-3-oxoisoindol-2-yl]acetate
CID 110188971
3-benzylidene-2-(4-methoxyphenyl)isoindol-1-one
CID 3569909
4-(furan-2-ylmethylidene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
CID 8005958
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 25185443
(4E)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
CID 2457319
(5E)-5-benzylidene-1-[(4-methoxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 134974532
(4Z)-4-[(1-benzylpyrazol-4-yl)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
CID 34427262
methyl (4Z)-4-[(4-chlorophenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 94847053
2-[(E)-4-(4-methoxyphenyl)but-3-enyl]isoindole-1,3-dione
CID 10566659

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one?
The IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one (CID 71479587) is (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one.
What is the SMILES notation for (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one?
The canonical SMILES for (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one is COc1ccc(CN2C(=O)c3ccccc3/C2=C\c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one?
The InChIKey is RSICLPLVCVDGMX-HYARGMPZSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-27-19-12-8-17(9-13-19)15-25-22(14-16-6-10-18(24)11-7-16)20-4-2-3-5-21(20)23(25)26/h2-14H,15H2,1H3/b22-14+.
What are the key properties of (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one?
(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one has a molecular weight of 375.86 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one is sourced from PubChem (CID 71479587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).