2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide

C18H19FN2O2 — CID 9242034

IUPAC2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
SMILESCCC/C(=N/NC(=O)COc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-2-7-17(14-8-4-3-5-9-14)20-21-18(22)13-23-16-11-6-10-15(19)12-16/h3-6,8-12H,2,7,13H2,1H3,(H,21,22)/b20-17-
InChIKeyRONGPLYXOIUECH-JZJYNLBNSA-N
MW314.36 g/mol
LogP3.53
Rot. Bonds7

About 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide

2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide (PubChem CID 9242034) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
PubChem CID9242034
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
SMILESCCC/C(=N/NC(=O)COc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-2-7-17(14-8-4-3-5-9-14)20-21-18(22)13-23-16-11-6-10-15(19)12-16/h3-6,8-12H,2,7,13H2,1H3,(H,21,22)/b20-17-
InChIKeyRONGPLYXOIUECH-JZJYNLBNSA-N
XLogP3.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.53
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

2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
[[2-(3-fluorophenoxy)-1-phenylethylidene]amino]thiourea
CID 138961460
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide (CID 9242034) is 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide is CCC/C(=N/NC(=O)COc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide?
The InChIKey is RONGPLYXOIUECH-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-7-17(14-8-4-3-5-9-14)20-21-18(22)13-23-16-11-6-10-15(19)12-16/h3-6,8-12H,2,7,13H2,1H3,(H,21,22)/b20-17-.
What are the key properties of 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide?
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide is sourced from PubChem (CID 9242034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).