N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide

C22H19Cl2FN2O2 — CID 155781670

IUPACN-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)c1
InChIInChI=1S/C22H19Cl2FN2O2/c1-13(2)15-7-16(25)9-18(8-15)29-22-19(23)10-17(11-20(22)24)27-21(28)6-14-4-3-5-26-12-14/h3-5,7-13H,6H2,1-2H3,(H,27,28)
InChIKeyLZCKZJCVAIWQDH-UHFFFAOYSA-N
MW433.31 g/mol
LogP6.62
Rot. Bonds6

About N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide

N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 155781670) has the molecular formula C22H19Cl2FN2O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
PubChem CID155781670
Molecular FormulaC22H19Cl2FN2O2
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC NameN-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)c1
InChIInChI=1S/C22H19Cl2FN2O2/c1-13(2)15-7-16(25)9-18(8-15)29-22-19(23)10-17(11-20(22)24)27-21(28)6-14-4-3-5-26-12-14/h3-5,7-13H,6H2,1-2H3,(H,27,28)
InChIKeyLZCKZJCVAIWQDH-UHFFFAOYSA-N
XLogP6.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide (CID 155781670) is N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide is CC(C)c1cc(F)cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is LZCKZJCVAIWQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O2/c1-13(2)15-7-16(25)9-18(8-15)29-22-19(23)10-17(11-20(22)24)27-21(28)6-14-4-3-5-26-12-14/h3-5,7-13H,6H2,1-2H3,(H,27,28).
What are the key properties of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 433.31 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 155781670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).