2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide

C22H22FN3O3 — CID 73426775

IUPAC2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide
SMILESCc1cc(F)cc(C2CCOC2)c1OCC(=O)N/N=C/c1ccc2cc[nH]c2c1
InChIInChI=1S/C22H22FN3O3/c1-14-8-18(23)10-19(17-5-7-28-12-17)22(14)29-13-21(27)26-25-11-15-2-3-16-4-6-24-20(16)9-15/h2-4,6,8-11,17,24H,5,7,12-13H2,1H3,(H,26,27)/b25-11+
InChIKeyHFQXGCGVJRWFNT-OPEKNORGSA-N
MW395.43 g/mol
LogP3.65
Rot. Bonds6

About 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide

2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide (PubChem CID 73426775) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide
PubChem CID73426775
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide
SMILESCc1cc(F)cc(C2CCOC2)c1OCC(=O)N/N=C/c1ccc2cc[nH]c2c1
InChIInChI=1S/C22H22FN3O3/c1-14-8-18(23)10-19(17-5-7-28-12-17)22(14)29-13-21(27)26-25-11-15-2-3-16-4-6-24-20(16)9-15/h2-4,6,8-11,17,24H,5,7,12-13H2,1H3,(H,26,27)/b25-11+
InChIKeyHFQXGCGVJRWFNT-OPEKNORGSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
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

N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
CID 90005294
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
tert-butyl N-[(E)-1H-indol-6-ylmethylideneamino]carbamate
CID 71668946
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
2-(2,6-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924390
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 136791946
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182516
2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 3928116
N-[(4-hydroxy-3-methylphenyl)methylideneamino]-2-[4-[2-[2-[(4-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 136506605
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide?
The IUPAC name of 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide (CID 73426775) is 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide is Cc1cc(F)cc(C2CCOC2)c1OCC(=O)N/N=C/c1ccc2cc[nH]c2c1.
What is the InChIKey of 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide?
The InChIKey is HFQXGCGVJRWFNT-OPEKNORGSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14-8-18(23)10-19(17-5-7-28-12-17)22(14)29-13-21(27)26-25-11-15-2-3-16-4-6-24-20(16)9-15/h2-4,6,8-11,17,24H,5,7,12-13H2,1H3,(H,26,27)/b25-11+.
What are the key properties of 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide?
2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide has a molecular weight of 395.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide is sourced from PubChem (CID 73426775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).