2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide

C14H10BrCl2FN2O2 — CID 24654229

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
SMILESCc1nc(NC(=O)COc2ccc(Br)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl2FN2O2/c1-7-9(16)5-10(17)14(19-7)20-13(21)6-22-12-3-2-8(15)4-11(12)18/h2-5H,6H2,1H3,(H,19,20,21)
InChIKeyKVIKGAMKKPAUQH-UHFFFAOYSA-N
MW408.05 g/mol
LogP4.62
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide (PubChem CID 24654229) has the molecular formula C14H10BrCl2FN2O2 and a molecular weight of 408.05 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
PubChem CID24654229
Molecular FormulaC14H10BrCl2FN2O2
Molecular Weight408.05 g/mol
Exact Mass405.93
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
SMILESCc1nc(NC(=O)COc2ccc(Br)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl2FN2O2/c1-7-9(16)5-10(17)14(19-7)20-13(21)6-22-12-3-2-8(15)4-11(12)18/h2-5H,6H2,1H3,(H,19,20,21)
InChIKeyKVIKGAMKKPAUQH-UHFFFAOYSA-N
XLogP4.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.05
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide (CID 24654229) is 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide is Cc1nc(NC(=O)COc2ccc(Br)cc2F)c(Cl)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The InChIKey is KVIKGAMKKPAUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FN2O2/c1-7-9(16)5-10(17)14(19-7)20-13(21)6-22-12-3-2-8(15)4-11(12)18/h2-5H,6H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide has a molecular weight of 408.05 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 24654229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).