(2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide

C24H22BrN3O2 — CID 126119880

IUPAC(2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide
SMILESN#C/C(C(=O)NC1CCCCC1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C24H22BrN3O2/c25-17-11-12-21-19(13-17)22(24(30)28(21)15-16-7-3-1-4-8-16)20(14-26)23(29)27-18-9-5-2-6-10-18/h1,3-4,7-8,11-13,18H,2,5-6,9-10,15H2,(H,27,29)/b22-20-
InChIKeyHDUARDSVQJFLAF-XDOYNYLZSA-N
MW464.36 g/mol
LogP4.72
Rot. Bonds4

About (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide

(2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide (PubChem CID 126119880) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide.

Molecular Properties

Compound Name(2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide
PubChem CID126119880
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC Name(2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide
SMILESN#C/C(C(=O)NC1CCCCC1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C24H22BrN3O2/c25-17-11-12-21-19(13-17)22(24(30)28(21)15-16-7-3-1-4-8-16)20(14-26)23(29)27-18-9-5-2-6-10-18/h1,3-4,7-8,11-13,18H,2,5-6,9-10,15H2,(H,27,29)/b22-20-
InChIKeyHDUARDSVQJFLAF-XDOYNYLZSA-N
XLogP4.72
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 54.72
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 (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide with MolForge

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Launch Full Analysis

Related Compounds

(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide
CID 124603237
5-benzyl-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142267
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide
CID 17200925
(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835467
5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142419
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
CID 29299798
3-[5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1394233
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
(2Z,5R)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126123958

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide?
The IUPAC name of (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide (CID 126119880) is (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide.
What is the SMILES notation for (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide?
The canonical SMILES for (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide is N#C/C(C(=O)NC1CCCCC1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide?
The InChIKey is HDUARDSVQJFLAF-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c25-17-11-12-21-19(13-17)22(24(30)28(21)15-16-7-3-1-4-8-16)20(14-26)23(29)27-18-9-5-2-6-10-18/h1,3-4,7-8,11-13,18H,2,5-6,9-10,15H2,(H,27,29)/b22-20-.
What are the key properties of (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide?
(2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide has a molecular weight of 464.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-cyano-N-cyclohexylacetamide is sourced from PubChem (CID 126119880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).