3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C30H27F3N2O2 — CID 58921582

IUPAC3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCCc1cc(OC)cc(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)c1
InChIInChI=1S/C30H27F3N2O2/c1-3-21-16-23(18-26(17-21)37-2)28(36)35-29(27-14-7-8-15-34-27,20-22-10-5-4-6-11-22)24-12-9-13-25(19-24)30(31,32)33/h4-19H,3,20H2,1-2H3,(H,35,36)
InChIKeyHHHGYYOIQVOHHD-UHFFFAOYSA-N
MW504.55 g/mol
LogP6.59
Rot. Bonds8

About 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 58921582) has the molecular formula C30H27F3N2O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID58921582
Molecular FormulaC30H27F3N2O2
Molecular Weight504.55 g/mol
Exact Mass504.20
IUPAC Name3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCCc1cc(OC)cc(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)c1
InChIInChI=1S/C30H27F3N2O2/c1-3-21-16-23(18-26(17-21)37-2)28(36)35-29(27-14-7-8-15-34-27,20-22-10-5-4-6-11-22)24-12-9-13-25(19-24)30(31,32)33/h4-19H,3,20H2,1-2H3,(H,35,36)
InChIKeyHHHGYYOIQVOHHD-UHFFFAOYSA-N
XLogP6.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 58921582) is 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is CCc1cc(OC)cc(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)c1.
What is the InChIKey of 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is HHHGYYOIQVOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N2O2/c1-3-21-16-23(18-26(17-21)37-2)28(36)35-29(27-14-7-8-15-34-27,20-22-10-5-4-6-11-22)24-12-9-13-25(19-24)30(31,32)33/h4-19H,3,20H2,1-2H3,(H,35,36).
What are the key properties of 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 504.55 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 58921582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).