(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide

C24H22ClN3O2 — CID 124603237

IUPAC(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide
SMILESN#C/C(C(=O)NC1CCCCC1)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C24H22ClN3O2/c25-17-12-10-16(11-13-17)15-28-21-9-5-4-8-19(21)22(24(28)30)20(14-26)23(29)27-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,15H2,(H,27,29)/b22-20+
InChIKeyGTKBRFWFIJWOCA-LSDHQDQOSA-N
MW419.91 g/mol
LogP4.61
Rot. Bonds4

About (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide

(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide (PubChem CID 124603237) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide.

Molecular Properties

Compound Name(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide
PubChem CID124603237
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide
SMILESN#C/C(C(=O)NC1CCCCC1)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C24H22ClN3O2/c25-17-12-10-16(11-13-17)15-28-21-9-5-4-8-19(21)22(24(28)30)20(14-26)23(29)27-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,15H2,(H,27,29)/b22-20+
InChIKeyGTKBRFWFIJWOCA-LSDHQDQOSA-N
XLogP4.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide with MolForge

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Related Compounds

(2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide
CID 126119880
(11S)-5-[(4-chlorophenyl)methyl]-N-cycloheptyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92662851
2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide
CID 23969128
(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide
CID 5291228
5-benzyl-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142267
(4aS,11aS)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-oxo-2,3,4,11a-tetrahydro-1H-benzo[b][1,4]benzothiazepine-4a-carboxamide
CID 11812870
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 55545613
(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126202735
(3E)-3-[(4-chlorophenyl)-phenylmethylidene]-1-[(3,4,5-trihydroxyphenyl)methyl]indol-2-one
CID 51033994
(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
CID 2414305
N-cyclopentyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]benzo[b][1,4]benzothiazepine-3-carboxamide
CID 15990837
methyl 3-[[3-[1-(4-chlorophenyl)-2-methylpropylidene]-2-oxoindol-1-yl]methyl]benzoate
CID 67036257

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide?
The IUPAC name of (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide (CID 124603237) is (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide.
What is the SMILES notation for (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide?
The canonical SMILES for (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide is N#C/C(C(=O)NC1CCCCC1)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide?
The InChIKey is GTKBRFWFIJWOCA-LSDHQDQOSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-17-12-10-16(11-13-17)15-28-21-9-5-4-8-19(21)22(24(28)30)20(14-26)23(29)27-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,15H2,(H,27,29)/b22-20+.
What are the key properties of (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide?
(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide has a molecular weight of 419.91 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide is sourced from PubChem (CID 124603237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).