2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide

C22H18FN3O2S — CID 5107147

IUPAC2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccccc1F)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H18FN3O2S/c1-14(25-26-22(27)13-28-19-8-4-2-6-16(19)23)15-10-11-21-18(12-15)24-17-7-3-5-9-20(17)29-21/h2-12,24H,13H2,1H3,(H,26,27)
InChIKeyPJPKQQIZPURBIG-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.95
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide

2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide (PubChem CID 5107147) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
PubChem CID5107147
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccccc1F)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H18FN3O2S/c1-14(25-26-22(27)13-28-19-8-4-2-6-16(19)23)15-10-11-21-18(12-15)24-17-7-3-5-9-20(17)29-21/h2-12,24H,13H2,1H3,(H,26,27)
InChIKeyPJPKQQIZPURBIG-UHFFFAOYSA-N
XLogP4.95
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
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-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 9074069
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4101625
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
CID 87718779
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264
4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 134814002

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide (CID 5107147) is 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccccc1F)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The InChIKey is PJPKQQIZPURBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-14(25-26-22(27)13-28-19-8-4-2-6-16(19)23)15-10-11-21-18(12-15)24-17-7-3-5-9-20(17)29-21/h2-12,24H,13H2,1H3,(H,26,27).
What are the key properties of 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide has a molecular weight of 407.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 5107147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).