N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

C23H21FN2O3 — CID 18285959

IUPACN-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C23H21FN2O3/c1-17(19-8-5-9-20(24)14-19)25-26-23(27)16-29-22-12-10-21(11-13-22)28-15-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,26,27)/b25-17+
InChIKeyNOLIYQKKFIUFMF-KOEQRZSOSA-N
MW392.43 g/mol
LogP4.32
Rot. Bonds8

About N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 18285959) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID18285959
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C23H21FN2O3/c1-17(19-8-5-9-20(24)14-19)25-26-23(27)16-29-22-12-10-21(11-13-22)28-15-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,26,27)/b25-17+
InChIKeyNOLIYQKKFIUFMF-KOEQRZSOSA-N
XLogP4.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.32
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-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
N-[3-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 6022276
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide (CID 18285959) is N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is C/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is NOLIYQKKFIUFMF-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-17(19-8-5-9-20(24)14-19)25-26-23(27)16-29-22-12-10-21(11-13-22)28-15-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,26,27)/b25-17+.
What are the key properties of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 392.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 18285959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).