2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide

C19H13Cl2FN2O2 — CID 50898802

IUPAC2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide
SMILESO=C(Nc1ccc(F)cn1)C(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2FN2O2/c20-13-3-1-12(2-4-13)18(26-16-8-5-14(21)6-9-16)19(25)24-17-10-7-15(22)11-23-17/h1-11,18H,(H,23,24,25)
InChIKeySEPNWVTUOWKKNN-UHFFFAOYSA-N
MW391.23 g/mol
LogP5.29
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide

2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 50898802) has the molecular formula C19H13Cl2FN2O2 and a molecular weight of 391.23 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide
PubChem CID50898802
Molecular FormulaC19H13Cl2FN2O2
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide
SMILESO=C(Nc1ccc(F)cn1)C(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2FN2O2/c20-13-3-1-12(2-4-13)18(26-16-8-5-14(21)6-9-16)19(25)24-17-10-7-15(22)11-23-17/h1-11,18H,(H,23,24,25)
InChIKeySEPNWVTUOWKKNN-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.23
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide (CID 50898802) is 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide is O=C(Nc1ccc(F)cn1)C(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is SEPNWVTUOWKKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O2/c20-13-3-1-12(2-4-13)18(26-16-8-5-14(21)6-9-16)19(25)24-17-10-7-15(22)11-23-17/h1-11,18H,(H,23,24,25).
What are the key properties of 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide?
2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 391.23 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 50898802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).