(3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one

C18H17ClNOP — CID 143823079

IUPAC(3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one
SMILESCPCc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1C
InChIInChI=1S/C18H17ClNOP/c1-11-7-12(3-4-13(11)10-22-2)8-16-15-6-5-14(19)9-17(15)20-18(16)21/h3-9,22H,10H2,1-2H3,(H,20,21)/b16-8+
InChIKeyZXYQKFPJDSVHCV-LZYBPNLTSA-N
MW329.77 g/mol
LogP4.95
Rot. Bonds3

About (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one

(3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one (PubChem CID 143823079) has the molecular formula C18H17ClNOP and a molecular weight of 329.77 g/mol. Its IUPAC name is (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one
PubChem CID143823079
Molecular FormulaC18H17ClNOP
Molecular Weight329.77 g/mol
Exact Mass329.07
IUPAC Name(3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one
SMILESCPCc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1C
InChIInChI=1S/C18H17ClNOP/c1-11-7-12(3-4-13(11)10-22-2)8-16-15-6-5-14(19)9-17(15)20-18(16)21/h3-9,22H,10H2,1-2H3,(H,20,21)/b16-8+
InChIKeyZXYQKFPJDSVHCV-LZYBPNLTSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one 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

(3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde
CID 143823107
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chloro-1H-indol-2-one
CID 2487183
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
CID 5027354
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372
(3E)-6-chloro-3-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-1H-indol-2-one
CID 21370180

Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one (CID 143823079) is (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one is CPCc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1C.
What is the InChIKey of (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is ZXYQKFPJDSVHCV-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H17ClNOP/c1-11-7-12(3-4-13(11)10-22-2)8-16-15-6-5-14(19)9-17(15)20-18(16)21/h3-9,22H,10H2,1-2H3,(H,20,21)/b16-8+.
What are the key properties of (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one?
(3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 329.77 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 143823079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).