N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

C24H23FN2O2 — CID 19176108

IUPACN-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c1-24(2,19-9-4-3-5-10-19)20-12-14-21(15-13-20)29-17-23(28)27-26-16-18-8-6-7-11-22(18)25/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyLYNPQYIEYUHOQV-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.68
Rot. Bonds7

About N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (PubChem CID 19176108) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
PubChem CID19176108
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c1-24(2,19-9-4-3-5-10-19)20-12-14-21(15-13-20)29-17-23(28)27-26-16-18-8-6-7-11-22(18)25/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyLYNPQYIEYUHOQV-UHFFFAOYSA-N
XLogP4.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604432
N-[(4-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604431
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189783
2-(4-tert-butylphenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 7750374
2-(4-tert-butylphenoxy)-N-[(2,4-difluorophenyl)methylideneamino]acetamide
CID 2423369
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176119
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
2-(4-tert-butylphenoxy)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5450012
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870223
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (CID 19176108) is N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The InChIKey is LYNPQYIEYUHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-24(2,19-9-4-3-5-10-19)20-12-14-21(15-13-20)29-17-23(28)27-26-16-18-8-6-7-11-22(18)25/h3-16H,17H2,1-2H3,(H,27,28).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide has a molecular weight of 390.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19176108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).