2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide

C21H19FN2O3 — CID 6888998

IUPAC2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C21H19FN2O3/c1-14-6-5-7-15(2)21(14)26-13-20(25)24-23-12-16-10-11-19(27-16)17-8-3-4-9-18(17)22/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyPKHLOFGHVVSITB-FSJBWODESA-N
MW366.39 g/mol
LogP4.23
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide

2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 6888998) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID6888998
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C21H19FN2O3/c1-14-6-5-7-15(2)21(14)26-13-20(25)24-23-12-16-10-11-19(27-16)17-8-3-4-9-18(17)22/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyPKHLOFGHVVSITB-FSJBWODESA-N
XLogP4.23
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 25247238
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 1104273
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3296653
2-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126170199
2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 71952295
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide (CID 6888998) is 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide is Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is PKHLOFGHVVSITB-FSJBWODESA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-14-6-5-7-15(2)21(14)26-13-20(25)24-23-12-16-10-11-19(27-16)17-8-3-4-9-18(17)22/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 366.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 6888998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).