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

C15H12ClF3N4O2 — CID 25184911

IUPAC2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESC=CCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1
InChIInChI=1S/C15H12ClF3N4O2/c1-2-5-25-13-6-11(15(17,18)19)22-14(23-13)10-4-3-9(8-20-10)21-12(24)7-16/h2-4,6,8H,1,5,7H2,(H,21,24)
InChIKeyVXJHIIBUFJFRMV-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.30
Rot. Bonds6

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

2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide (PubChem CID 25184911) has the molecular formula C15H12ClF3N4O2 and a molecular weight of 372.73 g/mol. Its IUPAC name is 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
PubChem CID25184911
Molecular FormulaC15H12ClF3N4O2
Molecular Weight372.73 g/mol
Exact Mass372.06
IUPAC Name2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESC=CCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1
InChIInChI=1S/C15H12ClF3N4O2/c1-2-5-25-13-6-11(15(17,18)19)22-14(23-13)10-4-3-9(8-20-10)21-12(24)7-16/h2-4,6,8H,1,5,7H2,(H,21,24)
InChIKeyVXJHIIBUFJFRMV-UHFFFAOYSA-N
XLogP3.30
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl ether
CID 1475334
N-(6-(4-(allyloxy)-5-ethyl-6-methylpyrimidin-2-yl)pyridin-3-yl)-2-chloroacetamide
CID 25154309
N-(6-(4-(allyloxy)-5-chloro-6-methylpyrimidin-2-yl)pyridin-3-yl)-2-chloroacetamide
CID 25184849
2-Chloro-N-(6-(4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3yl)acetamide
CID 25184910
2-Chloro-N-(6-(4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3yl)acetamide
CID 25184913
6-(4-(Allyloxy)-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
CID 25184847
6-(4-Ethoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
CID 25184848
6-(4-Methoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
CID 25184907
6-(4-(Allyloxy)-5-chloro-6-methylpyrimidin-2-yl)pyridin-3-amine
CID 25184908
6-(4-(Allyloxy)-5-ethyl-6-methylpyrimidin-2-yl)pyridin-3-amine
CID 25184912
US20260028365, Example 809
CID 175990758
6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine
CID 86797824

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide (CID 25184911) is 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide is C=CCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1.
What is the InChIKey of 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The InChIKey is VXJHIIBUFJFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O2/c1-2-5-25-13-6-11(15(17,18)19)22-14(23-13)10-4-3-9(8-20-10)21-12(24)7-16/h2-4,6,8H,1,5,7H2,(H,21,24).
What are the key properties of 2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
2-chloro-N-[6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide has a molecular weight of 372.73 g/mol, XLogP of 3.30, 6 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-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 25184911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).