2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C18H17ClFN5O2 — CID 51139867

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H17ClFN5O2/c1-10-6-11(2)22-18(21-10)25-16(7-12(3)24-25)23-17(26)9-27-15-5-4-13(20)8-14(15)19/h4-8H,9H2,1-3H3,(H,23,26)
InChIKeyWPMDKXIPZLZMEF-UHFFFAOYSA-N
MW389.82 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 51139867) has the molecular formula C18H17ClFN5O2 and a molecular weight of 389.82 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID51139867
Molecular FormulaC18H17ClFN5O2
Molecular Weight389.82 g/mol
Exact Mass389.11
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H17ClFN5O2/c1-10-6-11(2)22-18(21-10)25-16(7-12(3)24-25)23-17(26)9-27-15-5-4-13(20)8-14(15)19/h4-8H,9H2,1-3H3,(H,23,26)
InChIKeyWPMDKXIPZLZMEF-UHFFFAOYSA-N
XLogP3.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 51139867) is 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is WPMDKXIPZLZMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O2/c1-10-6-11(2)22-18(21-10)25-16(7-12(3)24-25)23-17(26)9-27-15-5-4-13(20)8-14(15)19/h4-8H,9H2,1-3H3,(H,23,26).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 389.82 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 51139867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).