(3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one

C17H14ClNO — CID 142044807

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)/C(=C/c1ccc(Cl)cc1)C(=O)N2C
InChIInChI=1S/C17H14ClNO/c1-11-3-8-16-14(9-11)15(17(20)19(16)2)10-12-4-6-13(18)7-5-12/h3-10H,1-2H3/b15-10-
InChIKeyAZEPXRUBJNOCKC-GDNBJRDFSA-N
MW283.76 g/mol
LogP4.17
Rot. Bonds1

About (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one

(3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one (PubChem CID 142044807) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one
PubChem CID142044807
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)/C(=C/c1ccc(Cl)cc1)C(=O)N2C
InChIInChI=1S/C17H14ClNO/c1-11-3-8-16-14(9-11)15(17(20)19(16)2)10-12-4-6-13(18)7-5-12/h3-10H,1-2H3/b15-10-
InChIKeyAZEPXRUBJNOCKC-GDNBJRDFSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-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

2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 5291469
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
CID 4209070
methyl 4-[(E)-(5-bromo-1-methyl-2-oxoindol-3-ylidene)methyl]benzoate
CID 2458695
methyl 4-[(4-chlorophenyl)methylidene]-1,2-dimethyl-5-oxopyrrole-3-carboxylate
CID 885248
(2E)-2-[(4-chlorophenyl)methylidene]-1-methylindol-3-one
CID 12825920
(3Z)-5-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methylindol-2-one
CID 2128330
(4E)-4-[(4-chlorophenyl)methylidene]-1-(3-methylphenyl)pyrazolidine-3,5-dione
CID 2178022
(3E)-3-[[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]methylidene]-5-chloro-1-methylindol-2-one
CID 70204653
(5Z)-2-(4-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135475206
2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-(2-phenylethyl)quinazolin-4-one
CID 6223414
(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 177442948

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one (CID 142044807) is (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one is Cc1ccc2c(c1)/C(=C/c1ccc(Cl)cc1)C(=O)N2C.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one?
The InChIKey is AZEPXRUBJNOCKC-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-3-8-16-14(9-11)15(17(20)19(16)2)10-12-4-6-13(18)7-5-12/h3-10H,1-2H3/b15-10-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one?
(3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one has a molecular weight of 283.76 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]-1,5-dimethylindol-2-one is sourced from PubChem (CID 142044807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).