2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide

C15H17FN4O2 — CID 9240663

IUPAC2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1nn(C)c(C)c1/C=N\NC(=O)COc1cccc(F)c1
InChIInChI=1S/C15H17FN4O2/c1-10-14(11(2)20(3)19-10)8-17-18-15(21)9-22-13-6-4-5-12(16)7-13/h4-8H,9H2,1-3H3,(H,18,21)/b17-8-
InChIKeyHSKKISMNSSXPQC-IUXPMGMMSA-N
MW304.32 g/mol
LogP1.71
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide

2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 9240663) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID9240663
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1nn(C)c(C)c1/C=N\NC(=O)COc1cccc(F)c1
InChIInChI=1S/C15H17FN4O2/c1-10-14(11(2)20(3)19-10)8-17-18-15(21)9-22-13-6-4-5-12(16)7-13/h4-8H,9H2,1-3H3,(H,18,21)/b17-8-
InChIKeyHSKKISMNSSXPQC-IUXPMGMMSA-N
XLogP1.71
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-(3-fluorophenoxy)acetamide
CID 166435192
N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9146150
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9217295
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5443754
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315633
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662584
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide (CID 9240663) is 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide is Cc1nn(C)c(C)c1/C=N\NC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is HSKKISMNSSXPQC-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-10-14(11(2)20(3)19-10)8-17-18-15(21)9-22-13-6-4-5-12(16)7-13/h4-8H,9H2,1-3H3,(H,18,21)/b17-8-.
What are the key properties of 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide?
2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 304.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 9240663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).