2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide

C14H12ClF3N4O2 — CID 25184913

IUPAC2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1
InChIInChI=1S/C14H12ClF3N4O2/c1-2-24-12-5-10(14(16,17)18)21-13(22-12)9-4-3-8(7-19-9)20-11(23)6-15/h3-5,7H,2,6H2,1H3,(H,20,23)
InChIKeyRMZAKEMVYITRIY-UHFFFAOYSA-N
MW360.72 g/mol
LogP3.13
Rot. Bonds5

About 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide

2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide (PubChem CID 25184913) has the molecular formula C14H12ClF3N4O2 and a molecular weight of 360.72 g/mol. Its IUPAC name is 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
PubChem CID25184913
Molecular FormulaC14H12ClF3N4O2
Molecular Weight360.72 g/mol
Exact Mass360.06
IUPAC Name2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1
InChIInChI=1S/C14H12ClF3N4O2/c1-2-24-12-5-10(14(16,17)18)21-13(22-12)9-4-3-8(7-19-9)20-11(23)6-15/h3-5,7H,2,6H2,1H3,(H,20,23)
InChIKeyRMZAKEMVYITRIY-UHFFFAOYSA-N
XLogP3.13
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide (CID 25184913) is 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide is CCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1.
What is the InChIKey of 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The InChIKey is RMZAKEMVYITRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O2/c1-2-24-12-5-10(14(16,17)18)21-13(22-12)9-4-3-8(7-19-9)20-11(23)6-15/h3-5,7H,2,6H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide has a molecular weight of 360.72 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 25184913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).