2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

C16H19ClFN3O2 — CID 35760913

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C16H19ClFN3O2/c1-11-8-12(2)21(20-11)7-3-6-19-16(22)10-23-15-5-4-13(18)9-14(15)17/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,19,22)
InChIKeyDYGWHEIDYOSXPD-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.88
Rot. Bonds7

About 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 35760913) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
PubChem CID35760913
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C16H19ClFN3O2/c1-11-8-12(2)21(20-11)7-3-6-19-16(22)10-23-15-5-4-13(18)9-14(15)17/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,19,22)
InChIKeyDYGWHEIDYOSXPD-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (CID 35760913) is 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is Cc1cc(C)n(CCCNC(=O)COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is DYGWHEIDYOSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-11-8-12(2)21(20-11)7-3-6-19-16(22)10-23-15-5-4-13(18)9-14(15)17/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 339.80 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 35760913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).