2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide

C20H23FN2O3 — CID 7958128

IUPAC2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
SMILESCC(C)CCOc1ccc(/C=N\NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O3/c1-15(2)11-12-25-17-9-7-16(8-10-17)13-22-23-20(24)14-26-19-6-4-3-5-18(19)21/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24)/b22-13-
InChIKeyJRQJEOGWZSVQQK-XKZIYDEJSA-N
MW358.41 g/mol
LogP3.78
Rot. Bonds9

About 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide

2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide (PubChem CID 7958128) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
PubChem CID7958128
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
SMILESCC(C)CCOc1ccc(/C=N\NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O3/c1-15(2)11-12-25-17-9-7-16(8-10-17)13-22-23-20(24)14-26-19-6-4-3-5-18(19)21/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24)/b22-13-
InChIKeyJRQJEOGWZSVQQK-XKZIYDEJSA-N
XLogP3.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.78
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-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
2-(2-ethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182513
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 8979784
2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 7784387
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide (CID 7958128) is 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide is CC(C)CCOc1ccc(/C=N\NC(=O)COc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
The InChIKey is JRQJEOGWZSVQQK-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15(2)11-12-25-17-9-7-16(8-10-17)13-22-23-20(24)14-26-19-6-4-3-5-18(19)21/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24)/b22-13-.
What are the key properties of 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide?
2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 7958128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).