2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide

C23H16FN3O2 — CID 2391325

IUPAC2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide
SMILESN#Cc1ccc(OCC(=O)/N=C2\c3ccccc3CN2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FN3O2/c24-18-7-9-19(10-8-18)27-14-17-3-1-2-4-21(17)23(27)26-22(28)15-29-20-11-5-16(13-25)6-12-20/h1-12H,14-15H2/b26-23+
InChIKeyHMCREBUYOMJNPO-WNAAXNPUSA-N
MW385.40 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide

2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide (PubChem CID 2391325) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide
PubChem CID2391325
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide
SMILESN#Cc1ccc(OCC(=O)/N=C2\c3ccccc3CN2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FN3O2/c24-18-7-9-19(10-8-18)27-14-17-3-1-2-4-21(17)23(27)26-22(28)15-29-20-11-5-16(13-25)6-12-20/h1-12H,14-15H2/b26-23+
InChIKeyHMCREBUYOMJNPO-WNAAXNPUSA-N
XLogP4.07
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-(4-cyanophenyl)-3H-isoindol-1-ylidene]benzamide
CID 2358663
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6035258
2-(4-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9316575
N-cyano-2-(4-fluorophenoxy)acetamide
CID 79194261
4-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 51338970
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7842738
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
2-[4-(2-oxoimidazolidin-1-yl)phenoxy]acetic acid
CID 63771692
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide (CID 2391325) is 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide is N#Cc1ccc(OCC(=O)/N=C2\c3ccccc3CN2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide?
The InChIKey is HMCREBUYOMJNPO-WNAAXNPUSA-N. The full InChI is InChI=1S/C23H16FN3O2/c24-18-7-9-19(10-8-18)27-14-17-3-1-2-4-21(17)23(27)26-22(28)15-29-20-11-5-16(13-25)6-12-20/h1-12H,14-15H2/b26-23+.
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide?
2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide has a molecular weight of 385.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(4-fluorophenyl)-3H-isoindol-1-ylidene]acetamide is sourced from PubChem (CID 2391325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).