4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide

C25H15Cl2F5N2O4 — CID 160785317

About 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide

4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 160785317) has the molecular formula C25H15Cl2F5N2O4 and a molecular weight of 573.30 g/mol. Its IUPAC name is 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
• PubChem CID: 160785317
• Molecular Formula: C25H15Cl2F5N2O4
• Molecular Weight: 573.30 g/mol
• Exact Mass: 572.03
• IUPAC Name: 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1F.Oc1ccc(Cl)cc1F
• InChI: InChI=1S/C19H11ClF4N2O3.C6H4ClFO/c20-11-2-4-16(14(21)8-11)29-15-3-1-10(19(22,23)24)7-13(15)18(28)26-12-5-6-25-17(27)9-12;7-4-1-2-6(9)5(8)3-4/h1-9H,(H2,25,26,27,28);1-3,9H
• InChIKey: SBCWOYNDKKBZCT-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.30
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide?

The IUPAC name of 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide (CID 160785317) is 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide?

The canonical SMILES for 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1F.Oc1ccc(Cl)cc1F.

What is the InChIKey of 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide?

The InChIKey is SBCWOYNDKKBZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N2O3.C6H4ClFO/c20-11-2-4-16(14(21)8-11)29-15-3-1-10(19(22,23)24)7-13(15)18(28)26-12-5-6-25-17(27)9-12;7-4-1-2-6(9)5(8)3-4/h1-9H,(H2,25,26,27,28);1-3,9H.

What are the key properties of 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide?

4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 573.30 g/mol, XLogP of 7.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 160785317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).