(2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one

C28H22N2O — CID 58621800

IUPAC(2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one
SMILESCN1/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C28H22N2O/c1-29-26-15-9-8-14-25(26)28(31)27(29)20-21-16-18-24(19-17-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3/b27-20+
InChIKeyYOJUNTIKFAQHRI-NHFJDJAPSA-N
MW402.50 g/mol
LogP6.83
Rot. Bonds4

About (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one

(2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one (PubChem CID 58621800) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one.

Molecular Properties

Compound Name(2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one
PubChem CID58621800
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name(2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one
SMILESCN1/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C28H22N2O/c1-29-26-15-9-8-14-25(26)28(31)27(29)20-21-16-18-24(19-17-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3/b27-20+
InChIKeyYOJUNTIKFAQHRI-NHFJDJAPSA-N
XLogP6.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one?
The IUPAC name of (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one (CID 58621800) is (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one.
What is the SMILES notation for (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one?
The canonical SMILES for (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one is CN1/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc21.
What is the InChIKey of (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one?
The InChIKey is YOJUNTIKFAQHRI-NHFJDJAPSA-N. The full InChI is InChI=1S/C28H22N2O/c1-29-26-15-9-8-14-25(26)28(31)27(29)20-21-16-18-24(19-17-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3/b27-20+.
What are the key properties of (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one?
(2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one has a molecular weight of 402.50 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-2-[[4-(N-phenylanilino)phenyl]methylidene]indol-3-one is sourced from PubChem (CID 58621800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).