2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide

C15H15ClF3N3O — CID 67615519

IUPAC2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide
SMILESCCc1cccc(C(F)(F)F)c1N(Cn1cccn1)C(=O)CCl
InChIInChI=1S/C15H15ClF3N3O/c1-2-11-5-3-6-12(15(17,18)19)14(11)22(13(23)9-16)10-21-8-4-7-20-21/h3-8H,2,9-10H2,1H3
InChIKeyVCBJXKTWPMGDJI-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide

2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide (PubChem CID 67615519) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide
PubChem CID67615519
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide
SMILESCCc1cccc(C(F)(F)F)c1N(Cn1cccn1)C(=O)CCl
InChIInChI=1S/C15H15ClF3N3O/c1-2-11-5-3-6-12(15(17,18)19)14(11)22(13(23)9-16)10-21-8-4-7-20-21/h3-8H,2,9-10H2,1H3
InChIKeyVCBJXKTWPMGDJI-UHFFFAOYSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide (CID 67615519) is 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide is CCc1cccc(C(F)(F)F)c1N(Cn1cccn1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide?
The InChIKey is VCBJXKTWPMGDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-2-11-5-3-6-12(15(17,18)19)14(11)22(13(23)9-16)10-21-8-4-7-20-21/h3-8H,2,9-10H2,1H3.
What are the key properties of 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide?
2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide has a molecular weight of 345.75 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(pyrazol-1-ylmethyl)acetamide is sourced from PubChem (CID 67615519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).