2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide

C20H12Cl2F2N2O3 — CID 11546611

IUPAC2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1)Nc1ccc(Cl)nc1
InChIInChI=1S/C20H12Cl2F2N2O3/c21-12-1-3-17(29-10-19(27)26-15-2-4-18(22)25-9-15)16(7-12)20(28)11-5-13(23)8-14(24)6-11/h1-9H,10H2,(H,26,27)
InChIKeyHMFATUVSGNYXMG-UHFFFAOYSA-N
MW437.23 g/mol
LogP4.92
Rot. Bonds6

About 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide

2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide (PubChem CID 11546611) has the molecular formula C20H12Cl2F2N2O3 and a molecular weight of 437.23 g/mol. Its IUPAC name is 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide
PubChem CID11546611
Molecular FormulaC20H12Cl2F2N2O3
Molecular Weight437.23 g/mol
Exact Mass436.02
IUPAC Name2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1)Nc1ccc(Cl)nc1
InChIInChI=1S/C20H12Cl2F2N2O3/c21-12-1-3-17(29-10-19(27)26-15-2-4-18(22)25-9-15)16(7-12)20(28)11-5-13(23)8-14(24)6-11/h1-9H,10H2,(H,26,27)
InChIKeyHMFATUVSGNYXMG-UHFFFAOYSA-N
XLogP4.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.23
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide (CID 11546611) is 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide is O=C(COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1)Nc1ccc(Cl)nc1.
What is the InChIKey of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide?
The InChIKey is HMFATUVSGNYXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N2O3/c21-12-1-3-17(29-10-19(27)26-15-2-4-18(22)25-9-15)16(7-12)20(28)11-5-13(23)8-14(24)6-11/h1-9H,10H2,(H,26,27).
What are the key properties of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide?
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide has a molecular weight of 437.23 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 11546611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).