(2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide

C22H20FN3O2 — CID 2422429

IUPAC(2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide
SMILESCCCCCN1C(=O)/C(=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C22H20FN3O2/c1-2-3-8-13-26-19-12-7-4-9-15(19)20(22(26)28)16(14-24)21(27)25-18-11-6-5-10-17(18)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,25,27)/b20-16-
InChIKeyAOKXMFXKPGYGMO-SILNSSARSA-N
MW377.42 g/mol
LogP4.28
Rot. Bonds6

About (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide

(2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide (PubChem CID 2422429) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide
PubChem CID2422429
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name(2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide
SMILESCCCCCN1C(=O)/C(=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C22H20FN3O2/c1-2-3-8-13-26-19-12-7-4-9-15(19)20(22(26)28)16(14-24)21(27)25-18-11-6-5-10-17(18)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,25,27)/b20-16-
InChIKeyAOKXMFXKPGYGMO-SILNSSARSA-N
XLogP4.28
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
CID 2414305
2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide
CID 23791361
tert-butyl 2-cyano-2-(10-hexylacridin-9-ylidene)acetate
CID 177419701
2-(1-ethyl-2-oxoindol-3-ylidene)-4,4-dimethyl-3-oxopentanenitrile
CID 3916382
N-(2-fluorophenyl)-2-[(3E)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
CID 2060683
N-(2-fluorophenyl)hexanamide
CID 3481165
butyl 2-[3-(dicyanomethylidene)-2-oxoindol-1-yl]acetate
CID 5159635
octadecyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6422180
2-[3-(dicyanomethylidene)-2-oxoindol-1-yl]ethyl-diethylazanium
CID 7582591
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)hexanenitrile
CID 102387405
butyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6423021
2-cyano-N-(2-fluorophenyl)-3-(4-hexoxyphenyl)prop-2-enamide
CID 3645178

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide?
The IUPAC name of (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide (CID 2422429) is (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide?
The canonical SMILES for (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide is CCCCCN1C(=O)/C(=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21.
What is the InChIKey of (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide?
The InChIKey is AOKXMFXKPGYGMO-SILNSSARSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-2-3-8-13-26-19-12-7-4-9-15(19)20(22(26)28)16(14-24)21(27)25-18-11-6-5-10-17(18)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,25,27)/b20-16-.
What are the key properties of (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide?
(2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide has a molecular weight of 377.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-(2-fluorophenyl)-2-(2-oxo-1-pentylindol-3-ylidene)acetamide is sourced from PubChem (CID 2422429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).