2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide

C18H14FN3O2S — CID 9467470

IUPAC2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C1/CCSc2ccc(F)cc21
InChIInChI=1S/C18H14FN3O2S/c19-13-5-6-17-14(9-13)15(7-8-25-17)21-22-18(23)11-24-16-4-2-1-3-12(16)10-20/h1-6,9H,7-8,11H2,(H,22,23)/b21-15-
InChIKeyXXTHALIVQGMQSB-QNGOZBTKSA-N
MW355.39 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide

2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide (PubChem CID 9467470) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
PubChem CID9467470
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C1/CCSc2ccc(F)cc21
InChIInChI=1S/C18H14FN3O2S/c19-13-5-6-17-14(9-13)15(7-8-25-17)21-22-18(23)11-24-16-4-2-1-3-12(16)10-20/h1-6,9H,7-8,11H2,(H,22,23)/b21-15-
InChIKeyXXTHALIVQGMQSB-QNGOZBTKSA-N
XLogP3.09
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
2-(2-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9467609
2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 9467608
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4845594
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4856859
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121307
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-cyanophenoxy)acetamide
CID 9467674
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 8868997
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7733369

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide (CID 9467470) is 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide is N#Cc1ccccc1OCC(=O)N/N=C1/CCSc2ccc(F)cc21.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
The InChIKey is XXTHALIVQGMQSB-QNGOZBTKSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-13-5-6-17-14(9-13)15(7-8-25-17)21-22-18(23)11-24-16-4-2-1-3-12(16)10-20/h1-6,9H,7-8,11H2,(H,22,23)/b21-15-.
What are the key properties of 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide is sourced from PubChem (CID 9467470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).