2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C28H22ClF3N2O2 — CID 58921039

IUPAC2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C28H22ClF3N2O2/c29-23-12-14-24(15-13-23)36-19-26(35)34-27(25-11-4-5-16-33-25,18-20-7-2-1-3-8-20)21-9-6-10-22(17-21)28(30,31)32/h1-17H,18-19H2,(H,34,35)
InChIKeySCYZIPBPJXAVCL-UHFFFAOYSA-N
MW510.94 g/mol
LogP6.44
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 58921039) has the molecular formula C28H22ClF3N2O2 and a molecular weight of 510.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID58921039
Molecular FormulaC28H22ClF3N2O2
Molecular Weight510.94 g/mol
Exact Mass510.13
IUPAC Name2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C28H22ClF3N2O2/c29-23-12-14-24(15-13-23)36-19-26(35)34-27(25-11-4-5-16-33-25,18-20-7-2-1-3-8-20)21-9-6-10-22(17-21)28(30,31)32/h1-17H,18-19H2,(H,34,35)
InChIKeySCYZIPBPJXAVCL-UHFFFAOYSA-N
XLogP6.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.94
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 58921039) is 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is SCYZIPBPJXAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF3N2O2/c29-23-12-14-24(15-13-23)36-19-26(35)34-27(25-11-4-5-16-33-25,18-20-7-2-1-3-8-20)21-9-6-10-22(17-21)28(30,31)32/h1-17H,18-19H2,(H,34,35).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 510.94 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58921039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).