2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

C20H15ClN2O3 — CID 127042386

IUPAC2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2cccc(Cl)c2)cc1)Nc1cccnc1
InChIInChI=1S/C20H15ClN2O3/c21-16-4-1-3-15(11-16)20(25)14-6-8-18(9-7-14)26-13-19(24)23-17-5-2-10-22-12-17/h1-12H,13H2,(H,23,24)
InChIKeyKKKJYDOHVKIIQP-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.98
Rot. Bonds6

About 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (PubChem CID 127042386) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
PubChem CID127042386
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2cccc(Cl)c2)cc1)Nc1cccnc1
InChIInChI=1S/C20H15ClN2O3/c21-16-4-1-3-15(11-16)20(25)14-6-8-18(9-7-14)26-13-19(24)23-17-5-2-10-22-12-17/h1-12H,13H2,(H,23,24)
InChIKeyKKKJYDOHVKIIQP-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (CID 127042386) is 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is O=C(COc1ccc(C(=O)c2cccc(Cl)c2)cc1)Nc1cccnc1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The InChIKey is KKKJYDOHVKIIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-16-4-1-3-15(11-16)20(25)14-6-8-18(9-7-14)26-13-19(24)23-17-5-2-10-22-12-17/h1-12H,13H2,(H,23,24).
What are the key properties of 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide has a molecular weight of 366.80 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 127042386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).